6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(3-ethoxyphenyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(3-ethoxyphenyl)-1,2,4-triazin-5(2H)-one
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(3-ethoxyphenyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V025-2430 |
| Compound Name: | 6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(3-ethoxyphenyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C26 H30 N4 O3 |
| Smiles: | CCOc1cccc(c1)C1NN=C(CCC(N2CCC(CC2)Cc2ccccc2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8525 |
| logD: | 3.8525 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.553 |
| InChI Key: | SSGSJBALWVPTIE-UHFFFAOYSA-N |