N-[2-(4-chlorophenyl)ethyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[2-(4-chlorophenyl)ethyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0428 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C27 H25 Cl F N3 O S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)F)=N2)SCC(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7072 |
| logD: | 5.5995 |
| logSw: | -6.0076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.502 |
| InChI Key: | FFEOTLKBXMAJQO-UHFFFAOYSA-N |