N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0062238 |
| Compound Name: | N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 658.78 |
| Molecular Formula: | C27 H30 N8 O6 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccc(cc3)S(N3CCCC3)(=O)=O)=O)n2c2cc(ccc2OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.278 |
| logD: | 2.2373 |
| logSw: | -2.952 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 143.824 |
| InChI Key: | FMJQMQXQPWEJSP-UHFFFAOYSA-N |