N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-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-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | C592-0701 |
| Compound Name: | N-{[5-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C23 H18 N6 O3 S2 |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1nc2ccccc2s1)=O)NC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3985 |
| logD: | 3.3984 |
| logSw: | -3.7466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.863 |
| InChI Key: | KSRFSLCXQNGNAJ-UHFFFAOYSA-N |