N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0289 |
Compound Name: | N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 423.96 |
Molecular Formula: | C16 H14 Cl N5 O S3 |
Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1nnc(SCc2ccccc2)s1 |
Stereo: | ACHIRAL |
logP: | 4.9291 |
logD: | 4.4843 |
logSw: | -4.883 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.549 |
InChI Key: | ZJUXFQWDMODDJL-UHFFFAOYSA-N |