3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0124 |
| Compound Name: | 3-(4-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 492 |
| Molecular Formula: | C25 H22 Cl N5 O2 S |
| Smiles: | Cc1cc(C)nc(n1)n1c2c(C(c3ccccc3OC)SCC(N2)=O)c(c2ccc(cc2)[Cl])n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1018 |
| logD: | 5.101 |
| logSw: | -5.5016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.086 |
| InChI Key: | MBURYEIOWHPBAX-HSZRJFAPSA-N |