N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(morpholine-4-sulfonyl)benzamide
N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0062170 |
| Compound Name: | N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 682.72 |
| Molecular Formula: | C26 H25 F3 N8 O5 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccc(cc3)S(N3CCOCC3)(=O)=O)=O)n2c2cccc(c2)C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3547 |
| logD: | 2.3139 |
| logSw: | -2.9658 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.494 |
| InChI Key: | NACOJXVGXWKQCE-UHFFFAOYSA-N |