3-(3-{4-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-(cyclohexylmethyl)propanamide
Chemical Structure Depiction of
3-(3-{4-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-(cyclohexylmethyl)propanamide
3-(3-{4-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-(cyclohexylmethyl)propanamide
Compound characteristics
| Compound ID: | V004-3063 |
| Compound Name: | 3-(3-{4-[(but-3-en-1-yl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-(cyclohexylmethyl)propanamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | C=CCCOc1ccc(cc1)C1NN=C(CCC(NCC2CCCCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6147 |
| logD: | 2.6735 |
| logSw: | -3.6614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.39 |
| InChI Key: | PICCGKHVMVVJBM-UHFFFAOYSA-N |