3-methyl-1-(4-methylphenyl)-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
3-methyl-1-(4-methylphenyl)-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1-(4-methylphenyl)-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: | D302-0361 |
| Compound Name: | 3-methyl-1-(4-methylphenyl)-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: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccc(cc3)OCC=C)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5574 |
| logD: | 4.5574 |
| logSw: | -4.2635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.84 |
| InChI Key: | MRYSPOULSXYYQS-JOCHJYFZSA-N |