methyl (4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0089 |
| Compound Name: | methyl (4-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.223 |
| logD: | 3.223 |
| logSw: | -3.5989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.408 |
| InChI Key: | VCMZHJXWUQXTEB-UHFFFAOYSA-N |