2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0433 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9653 |
| logD: | 2.9652 |
| logSw: | -3.5712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.695 |
| InChI Key: | ANJKBLJBYPTADQ-UHFFFAOYSA-N |