11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3,3,7,8-tetramethyl-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)-3,3,7,8-tetramethyl-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)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 2986-4181 |
| Compound Name: | 11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C26 H25 Cl N2 O3 |
| Smiles: | Cc1cc2c(cc1C)NC1CC(C)(C)CC(C=1C(C1=COc3ccc(cc3C1=O)[Cl])N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3492 |
| logD: | 5.2853 |
| logSw: | -5.8225 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.641 |
| InChI Key: | SAMOLXWGCCRQHP-DEOSSOPVSA-N |