methyl (4-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0019 |
| Compound Name: | methyl (4-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0083 |
| logD: | 3.008 |
| logSw: | -3.5717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.38 |
| InChI Key: | UQISLCCNLKMFRA-UHFFFAOYSA-N |