3-benzyl-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-benzyl-2-oxo-9-[(propanoyloxy)imino]-3,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
3-benzyl-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: | 8020-8778 |
| Compound Name: | 3-benzyl-2-oxo-9-[(propanoyloxy)imino]-3,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C20 H16 N4 O4 |
| Smiles: | CCC(=O)O/N=C1/c2ccccc2C(c2c1n[n+](n2Cc1ccccc1)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1201 |
| logD: | 2.1201 |
| logSw: | -2.8835 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.542 |
| InChI Key: | YYAIQWNRONAIAQ-UHFFFAOYSA-N |