10-(cyclopropanecarbonyl)-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(cyclopropanecarbonyl)-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(cyclopropanecarbonyl)-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3536-0194 |
| Compound Name: | 10-(cyclopropanecarbonyl)-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C26 H28 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OC)N(C(C3CC3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7389 |
| logD: | 4.509 |
| logSw: | -4.5187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.231 |
| InChI Key: | QHCUJCHUUCOJFG-DEOSSOPVSA-N |