N-benzyl-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-benzyl-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0297 |
| Compound Name: | N-benzyl-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)OC)=N2)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.291 |
| logD: | 5.1833 |
| logSw: | -5.3437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.205 |
| InChI Key: | OSZLBDQFEPUBTJ-UHFFFAOYSA-N |