1-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | D302-0370 |
| Compound Name: | 1-(4-fluorophenyl)-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: | 439.51 |
| Molecular Formula: | C23 H22 F N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(c(c3)OC)OCC=C)SCC(Nc2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0645 |
| logD: | 4.0644 |
| logSw: | -4.1632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.557 |
| InChI Key: | COILCXTVMPEXAA-JOCHJYFZSA-N |