N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | A0062444 |
| Compound Name: | N-{[4-(4-ethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C21 H21 N7 O4 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2ccco2)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9465 |
| logD: | 1.9057 |
| logSw: | -2.4808 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.576 |
| InChI Key: | BJOWMOGACQAJGS-UHFFFAOYSA-N |