1-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]azetidin-3-yl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]azetidin-3-yl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
1-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]azetidin-3-yl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | S724-1774 |
| Compound Name: | 1-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]azetidin-3-yl}-N-[(pyridin-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C21 H21 N7 O4 |
| Smiles: | C(c1ccncc1)NC(c1cn(C2CN(C2)C(Nc2ccc3c(c2)OCCO3)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4588 |
| logD: | -0.4621 |
| logSw: | -1.2311 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.576 |
| InChI Key: | FZNHMAJAYXYZQZ-UHFFFAOYSA-N |