2-[4-(pentyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-[4-(pentyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
2-[4-(pentyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 5003-0099 |
| Compound Name: | 2-[4-(pentyloxy)anilino]-3-(pyrrolidin-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C25 H28 N2 O3 |
| Smiles: | CCCCCOc1ccc(cc1)NC1=C(C(c2ccccc2C1=O)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8049 |
| logD: | 5.3201 |
| logSw: | -5.425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.718 |
| InChI Key: | JKJNFSUYWHKMGY-UHFFFAOYSA-N |