methyl 2-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G681-0802 |
| Compound Name: | methyl 2-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C25 H20 Cl N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSC1CC(c2ccc(cc2)[Cl])=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.994 |
| logD: | 4.9755 |
| logSw: | -5.1455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.815 |
| InChI Key: | BAHPQERCRNEBGG-UHFFFAOYSA-N |