N-[3-(1H-benzimidazol-2-yl)propyl]-3-cyclopentyl-5-methyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
Chemical Structure Depiction of
N-[3-(1H-benzimidazol-2-yl)propyl]-3-cyclopentyl-5-methyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
N-[3-(1H-benzimidazol-2-yl)propyl]-3-cyclopentyl-5-methyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
Compound characteristics
| Compound ID: | SA31-0836 |
| Compound Name: | N-[3-(1H-benzimidazol-2-yl)propyl]-3-cyclopentyl-5-methyl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CC1(COCc2nnc(C3CCCC3)n12)C(NCCCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3086 |
| logD: | 2.3008 |
| logSw: | -2.6551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.764 |
| InChI Key: | LZKDEFHDAOVMFP-QFIPXVFZSA-N |