N-(1H-1,2,4-triazol-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
Chemical Structure Depiction of
N-(1H-1,2,4-triazol-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
N-(1H-1,2,4-triazol-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y040-4691 |
| Compound Name: | N-(1H-1,2,4-triazol-3-yl)-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C19 H20 N4 O5 |
| Smiles: | CC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(Nc1nc[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0056 |
| logD: | 2.0022 |
| logSw: | -2.7172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.964 |
| InChI Key: | CTWQIGOPPGWUEM-UHFFFAOYSA-N |