methyl 2-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C200-6417 |
| Compound Name: | methyl 2-{2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSC1CC(c2ccccc2)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2942 |
| logD: | 4.2757 |
| logSw: | -4.3787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.815 |
| InChI Key: | SDUXEGVCZRGXTK-UHFFFAOYSA-N |