ethyl 1-{3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | L610-0681 |
| Compound Name: | ethyl 1-{3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C28 H31 N3 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(c1cccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8957 |
| logD: | 1.8957 |
| logSw: | -2.8022 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.675 |
| InChI Key: | VQTSYVHQULMYBU-DEOSSOPVSA-N |