5-(3-fluoroanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(3-fluoroanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(3-fluoroanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0111 |
| Compound Name: | 5-(3-fluoroanilino)-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C24 H18 F N3 O2 |
| Smiles: | C1CCN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 6.5021 |
| logD: | 6.5021 |
| logSw: | -6.2557 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.913 |
| InChI Key: | VFWVNAJDKOHLGI-UHFFFAOYSA-N |