1-(2-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0368 |
| Compound Name: | 1-(2-chlorophenyl)-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C23 H22 Cl N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OCC=C)SCC(Nc2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5971 |
| logD: | 4.5966 |
| logSw: | -4.8028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.256 |
| InChI Key: | XAEIAHPMNGRYMW-JOCHJYFZSA-N |