N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3-nitrobenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V002-8586 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3-nitrobenzamide |
| Molecular Weight: | 523.54 |
| Molecular Formula: | C27 H29 N3 O8 |
| Smiles: | CCOCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1ccco1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2053 |
| logD: | 3.2053 |
| logSw: | -3.2832 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.335 |
| InChI Key: | WVYUNUJQSXBEGY-UHFFFAOYSA-N |