N-[rel-(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-[rel-(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
N-[rel-(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | Y043-6185 |
| Compound Name: | N-[rel-(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CCC(C)[C@@H](c1nc2ccccc2[nH]1)NC(CN1C(c2ccccc2NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0847 |
| logD: | 3.0765 |
| logSw: | -3.6213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.595 |
| InChI Key: | TUDHGCVBGKEECU-YFKXAPIDSA-N |