N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0329 |
| Compound Name: | N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 389.95 |
| Molecular Formula: | C13 H16 Cl N5 O S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1nnc(SCCCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.184 |
| logD: | 4.5578 |
| logSw: | -5.4765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.821 |
| InChI Key: | MKNWPHDWZINBAA-UHFFFAOYSA-N |