4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0371 |
| Compound Name: | 4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-methyl-1-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(c3ccc(c(c3)OC)OCC=C)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4588 |
| logD: | 4.4587 |
| logSw: | -4.3329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.557 |
| InChI Key: | KCGYKIWGJIMDQQ-HSZRJFAPSA-N |