N-{[4-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | A0062164 |
| Compound Name: | N-{[4-(2-methoxyphenyl)-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: | 644.75 |
| Molecular Formula: | C26 H28 N8 O6 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccc(cc3)S(N3CCOCC3)(=O)=O)=O)n2c2ccccc2OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.3057 |
| logD: | 1.2649 |
| logSw: | -2.3749 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 143.823 |
| InChI Key: | UFXHBBFSHKXFQU-UHFFFAOYSA-N |