methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0473 |
| Compound Name: | methyl (4-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1C=C(CC(=O)OC)Nc2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6255 |
| logD: | 4.6255 |
| logSw: | -4.4083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.028 |
| InChI Key: | XCIWUEPPQNDHGA-UHFFFAOYSA-N |