2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2-hydroxyphenyl)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-hydroxyphenyl)acetamide
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-(2-hydroxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y042-5580 |
| 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-hydroxyphenyl)acetamide |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | C1C[C@H]2C(N(CC(Nc3ccccc3O)=O)c3ccccc3C(N2C1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0785 |
| logD: | 1.0765 |
| logSw: | -2.4944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.273 |
| InChI Key: | QZYXSFKPMBGYIN-INIZCTEOSA-N |