3-hydroxy-6-(3-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-hydroxy-6-(3-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(4H)-one
3-hydroxy-6-(3-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | Y042-1702 |
| Compound Name: | 3-hydroxy-6-(3-{2-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl}-3-oxopropyl)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CC(C)Cn1c2ccccc2nc1C1CCCN1C(CCC1C(NC(=NN=1)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9598 |
| logD: | -1.5296 |
| logSw: | -2.3658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.947 |
| InChI Key: | NOZBLDRCIXGNFA-KRWDZBQOSA-N |