3-methyl-1-(4-methylphenyl)-4-{2-[(propan-2-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-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1-(4-methylphenyl)-4-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0512 |
| Compound Name: | 3-methyl-1-(4-methylphenyl)-4-{2-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CC(C)Oc1ccccc1C1c2c(C)nn(c3ccc(C)cc3)c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6668 |
| logD: | 4.6668 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.312 |
| InChI Key: | NLHDXYJZNAEBLG-JOCHJYFZSA-N |