2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide
Chemical Structure Depiction of
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | F019-3368 |
| Compound Name: | 2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 459.97 |
| Molecular Formula: | C20 H18 Cl N5 O2 S2 |
| Smiles: | CC(C(Nc1nc(C)cs1)=O)Sc1nnc(c2cc3cc(ccc3o2)[Cl])n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.38 |
| logD: | 5.3691 |
| logSw: | -5.9101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.728 |
| InChI Key: | DHIZLRCNRIBICB-LBPRGKRZSA-N |