2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | G681-0532 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | CC(CCc1ccccc1)NC(CSC1CC(c2ccc(cc2)OC)=Nc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2826 |
| logD: | 5.268 |
| logSw: | -5.2275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.646 |
| InChI Key: | HGZSTZWCVWAVOO-FQEVSTJZSA-N |