3,3-dimethyl-11-(3-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(3-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(3-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y505-5031 |
| Compound Name: | 3,3-dimethyl-11-(3-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C20 H22 N2 O S |
| Smiles: | Cc1ccsc1C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3723 |
| logD: | 4.3547 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.766 |
| InChI Key: | WOCGAFVZZPJWGL-GOSISDBHSA-N |