N-heptyl-3-nitro-4-{[(oxolan-2-yl)methyl]amino}benzamide
Chemical Structure Depiction of
N-heptyl-3-nitro-4-{[(oxolan-2-yl)methyl]amino}benzamide
N-heptyl-3-nitro-4-{[(oxolan-2-yl)methyl]amino}benzamide
Compound characteristics
| Compound ID: | K781-6079 |
| Compound Name: | N-heptyl-3-nitro-4-{[(oxolan-2-yl)methyl]amino}benzamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C19 H29 N3 O4 |
| Smiles: | CCCCCCCNC(c1ccc(c(c1)[N+]([O-])=O)NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8641 |
| logD: | 3.8641 |
| logSw: | -3.9045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.036 |
| InChI Key: | WGRCCJMKEAKFAT-MRXNPFEDSA-N |