2-[4-(octyloxy)anilino]-3-(piperidin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-[4-(octyloxy)anilino]-3-(piperidin-1-yl)naphthalene-1,4-dione
2-[4-(octyloxy)anilino]-3-(piperidin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 4204-0138 |
| Compound Name: | 2-[4-(octyloxy)anilino]-3-(piperidin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C29 H36 N2 O3 |
| Smiles: | CCCCCCCCOc1ccc(cc1)NC1=C(C(c2ccccc2C1=O)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.5713 |
| logD: | 7.0289 |
| logSw: | -5.7547 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.352 |
| InChI Key: | GARYKMDEYCIHEB-UHFFFAOYSA-N |