2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0379 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | COCCNC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8728 |
| logD: | 1.8728 |
| logSw: | -2.6741 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.879 |
| InChI Key: | CVTQEQFYPHUTSI-UHFFFAOYSA-N |