N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]acetamide
Compound characteristics
| Compound ID: | D092-0170 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]acetamide |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C31 H27 N5 O5 |
| Smiles: | COc1ccc(cc1)C(C(NCc1ccccc1)=O)N(C(Cn1c2ccccc2nn1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8273 |
| logD: | 3.8273 |
| logSw: | -4.109 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.925 |
| InChI Key: | PKKZCSWUHSESTM-SSEXGKCCSA-N |