11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5531-8172 |
| Compound Name: | 11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 482.97 |
| Molecular Formula: | C29 H23 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(C3=COc4ccc(cc4C3=O)[Cl])Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1446 |
| logD: | 6.0361 |
| logSw: | -6.1838 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.37 |
| InChI Key: | IAEHHTVHBGGCQC-UHFFFAOYSA-N |