propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-2194 |
| Compound Name: | propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C16 H15 N7 O4 S |
| Smiles: | CC(C)OC(c1c(CSc2nc3ccccc3o2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0309 |
| logD: | 3.0309 |
| logSw: | -3.157 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.664 |
| InChI Key: | FUMOFJNRKIYBNN-UHFFFAOYSA-N |