N-(3-fluorophenyl)-5-[({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-[({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-[({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0937 |
| Compound Name: | N-(3-fluorophenyl)-5-[({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 396.5 |
| Molecular Formula: | C17 H21 F N4 O2 S2 |
| Smiles: | CC(C)CCNC(CSCc1nnc(C(Nc2cccc(c2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2547 |
| logD: | 3.2514 |
| logSw: | -3.6359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.642 |
| InChI Key: | MXNMESHDEYGGEK-UHFFFAOYSA-N |