3-methyl-4-(4-methylphenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-(4-methylphenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-(4-methylphenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D068-0128 |
Compound Name: | 3-methyl-4-(4-methylphenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 349.45 |
Molecular Formula: | C20 H19 N3 O S |
Smiles: | Cc1ccc(cc1)C1c2c(C)nn(c3ccccc3)c2NC(CS1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9027 |
logD: | 3.9027 |
logSw: | -3.9382 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.422 |
InChI Key: | ZAQBQKNSAJYYCM-LJQANCHMSA-N |