N-(4-butylphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-butylphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2216 |
| Compound Name: | N-(4-butylphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)Sc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6733 |
| logD: | 4.6733 |
| logSw: | -4.491 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | DZZRQQOLTABBNF-UHFFFAOYSA-N |