N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-4050 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitrobenzamide |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C24 H29 N3 O7 |
| Smiles: | COc1ccc(CCNC(c2ccc(c(c2)[N+]([O-])=O)N2CCC3(CC2)OCCO3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9813 |
| logD: | 1.9813 |
| logSw: | -2.7045 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.423 |
| InChI Key: | JMGYZYFNCITHTA-UHFFFAOYSA-N |