2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(pyridin-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(pyridin-4-yl)methyl]acetamide
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(pyridin-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J024-0017 |
| Compound Name: | 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(pyridin-4-yl)methyl]acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C29 H30 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)N(CC(NCc3ccncc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0569 |
| logD: | 4.0336 |
| logSw: | -4.0258 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.48 |
| InChI Key: | ZRKIKXWCTLZQPE-NDEPHWFRSA-N |