2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(2-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(2-methoxyphenyl)methyl]acetamide
2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(2-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | Y041-6811 |
| Compound Name: | 2-(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)-N-[(2-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | COc1ccccc1CNC(CN1C(C2CCCN2C(c2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3457 |
| logD: | 1.3457 |
| logSw: | -2.477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.375 |
| InChI Key: | XPYYUBNLUOGOLW-SFHVURJKSA-N |