N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | Y042-6586 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | C[C@@H](c1nc2ccccc2[nH]1)NC(c1ccc2c(c1)NC(CO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5436 |
| logD: | 1.5434 |
| logSw: | -2.3203 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.376 |
| InChI Key: | YBCSVYXPXYNJBV-JTQLQIEISA-N |