ethyl [4-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0304 |
| Compound Name: | ethyl [4-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCN(C(CSC1C=C(CC(=O)OCC)Nc2ccccc2N=1)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7069 |
| logD: | 4.7069 |
| logSw: | -4.3313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.426 |
| InChI Key: | LSKRBBWHNWOLST-UHFFFAOYSA-N |