methyl 4-{[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamamido}benzoate
methyl 4-{[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | Y044-5206 |
| Compound Name: | methyl 4-{[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]carbamamido}benzoate |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | CC[C@H](C)[C@@H](c1nc2ccccc2[nH]1)NC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1469 |
| logD: | 4.1468 |
| logSw: | -4.2071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.68 |
| InChI Key: | HHUCYYZVJLFKRQ-UGSOOPFHSA-N |