2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | L389-0544 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C24 H22 Cl N3 O2 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)[Cl])=N2)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.654 |
| logD: | 5.5463 |
| logSw: | -6.0344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.41 |
| InChI Key: | DTKAPOVQYKKXEI-UHFFFAOYSA-N |