methyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0039 |
| Compound Name: | methyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7054 |
| logD: | 2.7052 |
| logSw: | -3.2818 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.882 |
| InChI Key: | QWHRCNZBRCCLBD-UHFFFAOYSA-N |