10-(4-chlorobenzoyl)-11-(furan-2-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(4-chlorobenzoyl)-11-(furan-2-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(4-chlorobenzoyl)-11-(furan-2-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y010-0087 |
| Compound Name: | 10-(4-chlorobenzoyl)-11-(furan-2-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C26 H23 Cl N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccco3)N(C(c3ccc(cc3)[Cl])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2708 |
| logD: | 5.2257 |
| logSw: | -5.875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.743 |
| InChI Key: | NZUPJUOBQUUWIH-DEOSSOPVSA-N |