N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D532-0320 |
| Compound Name: | N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C18 H24 F N5 O4 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6995 |
| logD: | 0.6995 |
| logSw: | -2.0772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.832 |
| InChI Key: | OEEHNXKCBQKBTA-UHFFFAOYSA-N |