2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y042-5579 |
| Compound Name: | 2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C23 H25 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CN1C([C@@H]2CCCN2C(c2ccccc12)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9272 |
| logD: | 0.9267 |
| logSw: | -2.614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.4 |
| InChI Key: | RAVUMGCWJIAZFO-KRWDZBQOSA-N |