2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y043-2882 |
| Compound Name: | 2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | COc1ccccc1NC(CN1C([C@@H]2CCCN2C(c2ccccc12)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2997 |
| logD: | 1.2997 |
| logSw: | -2.5482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.355 |
| InChI Key: | YAZYCHNAFWJFIB-KRWDZBQOSA-N |