1-(4-chlorophenyl)-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-chlorophenyl)-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0363 |
| Compound Name: | 1-(4-chlorophenyl)-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C22 H20 Cl N3 O2 S |
| Smiles: | Cc1c2C(c3ccc(cc3)OCC=C)SCC(Nc2n(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7288 |
| logD: | 4.7287 |
| logSw: | -5.0542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.84 |
| InChI Key: | WPCHVZGVYJGXNQ-OAQYLSRUSA-N |