N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0062248 |
| Compound Name: | N-{[4-(2,5-dimethylphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 642.78 |
| Molecular Formula: | C27 H30 N8 O5 S3 |
| Smiles: | Cc1ccc(C)c(c1)n1c(CNC(c2ccc(cc2)S(N2CCOCC2)(=O)=O)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4618 |
| logD: | 2.421 |
| logSw: | -2.7253 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.193 |
| InChI Key: | XPHPCDVWWFPVLQ-UHFFFAOYSA-N |