ethyl (4-{[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0387 |
| Compound Name: | ethyl (4-{[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCC(C(Nc1ccccc1OCC)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2285 |
| logD: | 5.2284 |
| logSw: | -5.0316 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.21 |
| InChI Key: | UDVLTILGSWPUNK-QFIPXVFZSA-N |