N-benzyl-2-[2-(4-chloro-2-methoxy-5-methylanilino)-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-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-benzyl-2-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
Compound characteristics
| Compound ID: | L861-0456 |
| Compound Name: | N-benzyl-2-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3-oxo-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C24 H22 Cl N5 O4 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CN1C(N2C=C(C=CC2=N1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2592 |
| logD: | 3.2583 |
| logSw: | -3.4527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.295 |
| InChI Key: | XMGOYCDMLIUCTD-UHFFFAOYSA-N |