N-(3-methylbutyl)-3-(5-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-(3-methylbutyl)-3-(5-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-(3-methylbutyl)-3-(5-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | V021-3503 |
| Compound Name: | N-(3-methylbutyl)-3-(5-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | CC(C)CCNC(CCC1C(N=C(c2ccccc2)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6793 |
| logD: | 1.6793 |
| logSw: | -2.1098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.893 |
| InChI Key: | CKBIDRZQJXYCNU-UHFFFAOYSA-N |