2-(1H-benzotriazol-1-yl)-3-(4-chloroanilino)naphthalene-1,4-dione
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-3-(4-chloroanilino)naphthalene-1,4-dione
2-(1H-benzotriazol-1-yl)-3-(4-chloroanilino)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 8012-6056 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-3-(4-chloroanilino)naphthalene-1,4-dione |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C22 H13 Cl N4 O2 |
| Smiles: | c1ccc2C(C(=C(C(c2c1)=O)Nc1ccc(cc1)[Cl])n1c2ccccc2nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3561 |
| logD: | 3.6566 |
| logSw: | -4.8389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.044 |
| InChI Key: | LORBMDQOBUYYLQ-UHFFFAOYSA-N |