methyl {4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0503 |
| Compound Name: | methyl {4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | Cc1cc2c(cc1C)N=C(C=C(CC(=O)OC)N2)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7199 |
| logD: | 4.7198 |
| logSw: | -4.801 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.226 |
| InChI Key: | PAVQBAAYYAUXPL-UHFFFAOYSA-N |