4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitrobenzamide
Chemical Structure Depiction of
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitrobenzamide
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-4017 |
| Compound Name: | 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-heptyl-3-nitrobenzamide |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C21 H31 N3 O5 |
| Smiles: | CCCCCCCNC(c1ccc(c(c1)[N+]([O-])=O)N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.764 |
| logD: | 3.764 |
| logSw: | -3.8497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.434 |
| InChI Key: | DYPVSPFEZVHKNK-UHFFFAOYSA-N |