N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-0741 |
| Compound Name: | N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C18 H25 N5 O4 S2 |
| Smiles: | CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5489 |
| logD: | 0.5489 |
| logSw: | -2.0076 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.832 |
| InChI Key: | ZOFLRBNKWHMEGI-UHFFFAOYSA-N |