1-(3-chloro-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chloro-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1771 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])n1c2c(C(c3ccc(c(c3)OC)O)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0843 |
| logD: | 4.0806 |
| logSw: | -4.3263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.601 |
| InChI Key: | SAZJFYYBCLVYPL-HXUWFJFHSA-N |