N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | Y042-7152 |
| Compound Name: | N-[(1S)-2-methyl-1-(1-methyl-1H-benzimidazol-2-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2n1C)NC(c1ccc2c(c1)NC(CO2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.722 |
| logD: | 2.7207 |
| logSw: | -3.3234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.284 |
| InChI Key: | PHORVEPCVLAFBG-IBGZPJMESA-N |