3-methyl-2-oxo-9-[(propanoyloxy)imino]-3,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
Chemical Structure Depiction of
3-methyl-2-oxo-9-[(propanoyloxy)imino]-3,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
3-methyl-2-oxo-9-[(propanoyloxy)imino]-3,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
Compound characteristics
| Compound ID: | 8020-8153 |
| Compound Name: | 3-methyl-2-oxo-9-[(propanoyloxy)imino]-3,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C14 H12 N4 O4 |
| Smiles: | CCC(=O)O/N=C1/c2ccccc2C(c2c1n[n+](n2C)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.5352 |
| logD: | 0.5352 |
| logSw: | -2.3065 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.457 |
| InChI Key: | VFMUHLQUHZWHIS-UHFFFAOYSA-N |