ethyl (4-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0370 |
| Compound Name: | ethyl (4-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C23 H24 N2 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(c1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8968 |
| logD: | 4.8968 |
| logSw: | -4.5404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.581 |
| InChI Key: | VKUQIQQWHXEDSY-UHFFFAOYSA-N |