N-benzyl-2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0535 |
| Compound Name: | N-benzyl-2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C26 H27 N5 O3 |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C(N2C=C(C=CC2=N1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2774 |
| logD: | 4.2766 |
| logSw: | -4.2401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.362 |
| InChI Key: | LYEBKDLFELKUDK-UHFFFAOYSA-N |