11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3004-4866 |
| Compound Name: | 11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C24 H21 Cl N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C3=COc4ccc(cc4C3=O)[Cl])Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5244 |
| logD: | 4.4518 |
| logSw: | -4.6213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.641 |
| InChI Key: | JLXHPDBQOPSFEY-QFIPXVFZSA-N |