N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | C301-1196 |
| Compound Name: | N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C22 H17 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])n1nc2ccc(cc2n1)NC(C1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.505 |
| logD: | 4.5017 |
| logSw: | -4.5698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.431 |
| InChI Key: | JBWBRVYOZBHRGJ-NRFANRHFSA-N |