methyl [7,8-dimethyl-4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [7,8-dimethyl-4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [7,8-dimethyl-4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0532 |
| Compound Name: | methyl [7,8-dimethyl-4-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CC(C)NC(CSC1C=C(CC(=O)OC)Nc2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0162 |
| logD: | 3.0161 |
| logSw: | -3.3486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.472 |
| InChI Key: | CKCSIJAFMIMTDG-UHFFFAOYSA-N |