methyl {4-[(1-{[(4-methylphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(1-{[(4-methylphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(1-{[(4-methylphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0221 |
| Compound Name: | methyl {4-[(1-{[(4-methylphenyl)methyl]amino}-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CC(C(NCc1ccc(C)cc1)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7262 |
| logD: | 3.7262 |
| logSw: | -4.0887 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.439 |
| InChI Key: | RMBUWKIDDKVJCK-INIZCTEOSA-N |