2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015468 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C31 H25 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(C(=Nc2c1)SCc1nc2ccccc2[nH]1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5691 |
| logD: | 4.5666 |
| logSw: | -4.4557 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.793 |
| InChI Key: | DGHMAZKFUUKTDP-UHFFFAOYSA-N |