methyl (4-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0122 |
| Compound Name: | methyl (4-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 372.87 |
| Molecular Formula: | C19 H17 Cl N2 O2 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2441 |
| logD: | 4.2441 |
| logSw: | -4.5318 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.755 |
| InChI Key: | SCGFGYBHIPRCSU-UHFFFAOYSA-N |