2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G681-0495 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1CC(c2ccc(cc2)OC)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9952 |
| logD: | 5.9945 |
| logSw: | -5.5923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.883 |
| InChI Key: | KFBSMHPQVASOMF-UHFFFAOYSA-N |