2-[4-(octyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-[4-(octyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
2-[4-(octyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 4204-0134 |
| Compound Name: | 2-[4-(octyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C28 H34 N2 O3 |
| Smiles: | CCCCCCCCOc1ccc(cc1)NC1=C(C(c2ccccc2C1=O)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.2927 |
| logD: | 6.8079 |
| logSw: | -5.7524 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.718 |
| InChI Key: | AFJNVAOZMDDRMU-UHFFFAOYSA-N |