3-{3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
3-{3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-6615 |
| Compound Name: | 3-{3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | C1CN(CCC1c1nc2ccccc2[nH]1)C(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3681 |
| logD: | 2.361 |
| logSw: | -2.9078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.323 |
| InChI Key: | YRLACEKPMIVRGA-UHFFFAOYSA-N |