5-(3-methoxyanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(3-methoxyanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(3-methoxyanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0109 |
| Compound Name: | 5-(3-methoxyanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C25 H21 N3 O3 |
| Smiles: | COc1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.4151 |
| logD: | 6.4151 |
| logSw: | -5.9629 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.457 |
| InChI Key: | WSUVREFCOXBRHV-UHFFFAOYSA-N |