N-{[4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | A0062154 |
| Compound Name: | N-{[4-(4-fluorophenyl)-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: | 632.71 |
| Molecular Formula: | C25 H25 F N8 O5 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccc(cc3)S(N3CCOCC3)(=O)=O)=O)n2c2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.5579 |
| logD: | 1.5171 |
| logSw: | -2.5482 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.494 |
| InChI Key: | NEXBOXWZJIGOHT-UHFFFAOYSA-N |