N-[4-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[4-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
N-[4-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 8012-8609 |
| Compound Name: | N-[4-(5-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C20 H20 F N5 O2 S |
| Smiles: | CN(C)C(CSc1nnc(c2ccc(cc2)NC(c2ccccc2F)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.103 |
| logD: | 2.1028 |
| logSw: | -3.1003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.887 |
| InChI Key: | PTFDOPYPHOQVNA-UHFFFAOYSA-N |