vardenafil - Compound Summary (CID 110634)
for inducing penile erection
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 488.60298 [g/mol] | | Molecular Formula | C23H32N6O4S | | XLogP3-AA | 2.5 | | H-Bond Donor | 1 | | H-Bond Acceptor | 9 | | Rotatable Bond Count | 8 | | Tautomer Count | 8 | | Exact Mass | 488.220574 | | MonoIsotopic Mass | 488.220574 | | Topological Polar Surface Area | 109 | | Heavy Atom Count | 34 | | Formal Charge | 0 | | Complexity | 854 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl- 1H-imidazo[5,1-f][1,2,4]triazin-4-one
Canonical SMILES: CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
InChI: InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-
17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,
11-14H2,1-4H3,(H,25,26,30)
InChIKey: SECKRCOLJRRGGV-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 62 Links Same structure: 19 Links Mixture: 43 LinksCategory: [for same structure substances]
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| Compound ID | 110634 |
| | Molecular Weight | 488.60298 [g/mol] |
| | Molecular Formula | C23H32N6O4S |
| | XLogP3-AA | 2.5 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 9 |
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Literature
