1-cyclohexyl-3-hydroxy-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cyclohexyl-3-hydroxy-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cyclohexyl-3-hydroxy-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D068-0136 |
Compound Name: | 1-cyclohexyl-3-hydroxy-4-(4-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 357.47 |
Molecular Formula: | C19 H23 N3 O2 S |
Smiles: | Cc1ccc(cc1)C1c2c(nn(C3CCCCC3)c2NC(CS1)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7134 |
logD: | 3.0712 |
logSw: | -3.7285 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.639 |
InChI Key: | NJYVFQBJWGINLZ-QGZVFWFLSA-N |