methyl [4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0082 |
| Compound Name: | methyl [4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CC(C)NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0845 |
| logD: | 2.0845 |
| logSw: | -2.6478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.472 |
| InChI Key: | MRRKYWBHEDETOZ-UHFFFAOYSA-N |