11-(furan-2-yl)-10-(4-methoxybenzoyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(furan-2-yl)-10-(4-methoxybenzoyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(furan-2-yl)-10-(4-methoxybenzoyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0392 |
| Compound Name: | 11-(furan-2-yl)-10-(4-methoxybenzoyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccco3)N(C(c3ccc(cc3)OC)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6585 |
| logD: | 4.6134 |
| logSw: | -4.4403 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.287 |
| InChI Key: | NCBGUCIAQKSRMA-VWLOTQADSA-N |