4-(4-methoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-methoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-methoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | 4643-0160 |
Compound Name: | 4-(4-methoxyphenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 427.52 |
Molecular Formula: | C25 H21 N3 O2 S |
Smiles: | COc1ccc(cc1)C1c2c(c3ccccc3)nn(c3ccccc3)c2NC(CS1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9082 |
logD: | 4.9082 |
logSw: | -4.6169 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.888 |
InChI Key: | GOEMEMPXHVGXON-XMMPIXPASA-N |