3-{2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
3-{2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-6777 |
| Compound Name: | 3-{2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C20 H18 N6 O2 |
| Smiles: | C1C[C@@H](c2nc3ccccc3[nH]2)N(C1)C(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9529 |
| logD: | 1.9513 |
| logSw: | -2.8154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.405 |
| InChI Key: | CNAQRWKPJGYUOR-KRWDZBQOSA-N |