ethyl (4-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0267 |
| Compound Name: | ethyl (4-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1C=C(CC(=O)OCC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7081 |
| logD: | 4.7081 |
| logSw: | -4.2628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | UBDTWTIECJPTDR-UHFFFAOYSA-N |