N-(1,3-benzothiazol-2-yl)-2-{[5-(2-ethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{[5-(2-ethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{[5-(2-ethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6582 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{[5-(2-ethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | CCn1c(c2ccccc2OCC)nnc1SCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6522 |
| logD: | 4.6521 |
| logSw: | -4.4122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.086 |
| InChI Key: | NEGNLIRRBPDWLY-UHFFFAOYSA-N |