methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0023 |
| Compound Name: | methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6938 |
| logD: | 3.6938 |
| logSw: | -4.0149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.028 |
| InChI Key: | VLDKJYSENGWACS-UHFFFAOYSA-N |