10-(cyclopropanecarbonyl)-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(cyclopropanecarbonyl)-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(cyclopropanecarbonyl)-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4670 |
| Compound Name: | 10-(cyclopropanecarbonyl)-3-(4-methylphenyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C29 H27 N3 O2 |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3cccnc3)N(C(C3CC3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2129 |
| logD: | 4.9513 |
| logSw: | -4.7541 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.934 |
| InChI Key: | CQFWKIXFDAHDJB-UHFFFAOYSA-N |