11-(furan-2-yl)-3,3-dimethyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Chemical Structure Depiction of
11-(furan-2-yl)-3,3-dimethyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
11-(furan-2-yl)-3,3-dimethyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Compound characteristics
| Compound ID: | J024-0817 |
| Compound Name: | 11-(furan-2-yl)-3,3-dimethyl-N-[3-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccco3)N(C(Nc3cccc(c3)SC)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6355 |
| logD: | 5.4954 |
| logSw: | -5.4229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.564 |
| InChI Key: | ZQAXYBKICMHTTA-VWLOTQADSA-N |