1-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-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-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-1772 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | CCOc1cc(ccc1O)C1c2c(C)nn(c3ccc(C)c(c3)[Cl])c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6031 |
| logD: | 4.6012 |
| logSw: | -4.6251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.181 |
| InChI Key: | RLRLZFRUHIWHQP-OAQYLSRUSA-N |