N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({N-[2-(3,4-dimethoxyphenyl)ethyl]glycyl}amino)-5-nitrobenzamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({N-[2-(3,4-dimethoxyphenyl)ethyl]glycyl}amino)-5-nitrobenzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({N-[2-(3,4-dimethoxyphenyl)ethyl]glycyl}amino)-5-nitrobenzamide
Compound characteristics
| Compound ID: | C284-0054 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({N-[2-(3,4-dimethoxyphenyl)ethyl]glycyl}amino)-5-nitrobenzamide |
| Molecular Weight: | 536.54 |
| Molecular Formula: | C27 H28 N4 O8 |
| Smiles: | COc1ccc(CCNCC(Nc2ccc(cc2C(Nc2ccc3c(c2)OCCO3)=O)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3007 |
| logD: | 1.1031 |
| logSw: | -2.5005 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.854 |
| InChI Key: | HQKXTWWSAQRSOC-UHFFFAOYSA-N |