10-ethyl-3,3-dimethyl-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-ethyl-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-ethyl-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0518 |
| Compound Name: | 10-ethyl-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C21 H24 N2 O S |
| Smiles: | CCN1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6476 |
| logD: | 4.5921 |
| logSw: | -4.3199 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5949 |
| InChI Key: | LOQACNYKUPQIPS-FQEVSTJZSA-N |