N-(2-chlorophenyl)-4-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)butanamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-4-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)butanamide
N-(2-chlorophenyl)-4-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)butanamide
Compound characteristics
Compound ID: | G279-1023 |
Compound Name: | N-(2-chlorophenyl)-4-(3-methyl-5-oxo-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl)butanamide |
Molecular Weight: | 440.95 |
Molecular Formula: | C22 H21 Cl N4 O2 S |
Smiles: | Cc1c2c(n(c3ccccc3)n1)SCC(N2CCCC(Nc1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7977 |
logD: | 2.7975 |
logSw: | -3.3664 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.998 |
InChI Key: | MNRQVVLHGOBYCI-UHFFFAOYSA-N |