N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | Y044-4022 |
| Compound Name: | N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | CSCC[C@@H](c1nnc2ccccn12)NC(c1ccc2c(c1)NC(CO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.992 |
| logD: | 0.992 |
| logSw: | -2.3457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.162 |
| InChI Key: | HIJUJJPWYNOUNH-ZDUSSCGKSA-N |