3,3-dimethyl-11-(3-methylthiophen-2-yl)-10-propanoyl-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)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(3-methylthiophen-2-yl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y020-2256 |
| Compound Name: | 3,3-dimethyl-11-(3-methylthiophen-2-yl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7704 |
| logD: | 4.4327 |
| logSw: | -4.4881 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | MCUZOIXXLQXJBK-OAQYLSRUSA-N |