2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0465 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(c(c1)OC)OC)=O)c1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.568 |
| logD: | 4.5656 |
| logSw: | -4.4757 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.326 |
| InChI Key: | PNJZNDDBOVKPDH-UHFFFAOYSA-N |