2-{[(2-methylphenyl)methyl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
2-{[(2-methylphenyl)methyl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D506-0129 |
Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 465.62 |
Molecular Formula: | C22 H19 N5 O S3 |
Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1C)Sc1ccccc1)=O)c1nnc(C)s1 |
Stereo: | ACHIRAL |
logP: | 5.8708 |
logD: | 5.4496 |
logSw: | -5.3735 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.723 |
InChI Key: | WSWPFQKALOLGEH-UHFFFAOYSA-N |