2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0307 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2986 |
| logD: | 2.2985 |
| logSw: | -2.938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.126 |
| InChI Key: | IPYGZAUSHKQBBS-UHFFFAOYSA-N |