N-({4-ethyl-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-({4-ethyl-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
N-({4-ethyl-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1988 |
| Compound Name: | N-({4-ethyl-5-[(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C19 H23 N7 O3 S3 |
| Smiles: | CCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1nnc(SCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9611 |
| logD: | 2.9589 |
| logSw: | -3.4554 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.226 |
| InChI Key: | HWHCUBNKAIMFPO-UHFFFAOYSA-N |