N-{[4-ethyl-5-({2-[(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1989 |
| Compound Name: | N-{[4-ethyl-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C18 H21 N7 O3 S2 |
| Smiles: | CCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4453 |
| logD: | 1.3954 |
| logSw: | -2.2788 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.671 |
| InChI Key: | QTGNQTLCLZXPOA-UHFFFAOYSA-N |