10-(2-methylpropanoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(2-methylpropanoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(2-methylpropanoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0422 |
| Compound Name: | 10-(2-methylpropanoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | CC(C)C(N1C(C2=C(CCCC2=O)Nc2ccccc12)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9861 |
| logD: | 3.8165 |
| logSw: | -4.2056 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.454 |
| InChI Key: | GTEDWJYKBKGXHY-FQEVSTJZSA-N |