2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0309 |
| Compound Name: | 2-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C28 H27 N3 O4 |
| Smiles: | COc1cccc(CNC(c2ccccc2CN2C(C3CCCN3C(c3ccccc23)=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1268 |
| logD: | 3.1268 |
| logSw: | -3.5985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.23 |
| InChI Key: | NZBMTZGPFCGLEU-VWLOTQADSA-N |