ethyl [4-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0322 |
| Compound Name: | ethyl [4-({2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(NC(C)CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4031 |
| logD: | 4.4031 |
| logSw: | -4.245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.247 |
| InChI Key: | PYBIPSVYRIBVSN-SFHVURJKSA-N |