N-(4-acetylphenyl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-acetylphenyl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M460-2419 |
| Compound Name: | N-(4-acetylphenyl)-2-{8-[cyclohexyl(methyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)N(C)C1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8731 |
| logD: | 1.873 |
| logSw: | -2.3739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.589 |
| InChI Key: | LMCSEXSCBIFPMZ-UHFFFAOYSA-N |