2-[(cyanomethyl)sulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0253 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5484 |
| logD: | 2.5483 |
| logSw: | -3.086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.151 |
| InChI Key: | MCPHZBICWAUDBQ-UHFFFAOYSA-N |