N-benzyl-3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L860-0458 |
| Compound Name: | N-benzyl-3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc2ccc(cn12)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.995 |
| logD: | 4.995 |
| logSw: | -4.5699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.615 |
| InChI Key: | GITSLORGHKHTIZ-UHFFFAOYSA-N |