N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K400-10050 |
| Compound Name: | N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C23 H17 F N6 O3 S2 |
| Smiles: | C(c1nnc(n1c1ccc(cc1)F)SCC(Nc1nc2ccccc2s1)=O)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5491 |
| logD: | 3.5491 |
| logSw: | -3.8084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.863 |
| InChI Key: | OELSYPIUDVXBHR-UHFFFAOYSA-N |