4-butoxy-N-{3-(3-chloro-4-fluoroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
4-butoxy-N-{3-(3-chloro-4-fluoroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}benzamide
4-butoxy-N-{3-(3-chloro-4-fluoroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2628-3157 |
| Compound Name: | 4-butoxy-N-{3-(3-chloro-4-fluoroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C28 H29 Cl F N3 O3 |
| Smiles: | CCCCOc1ccc(cc1)C(NC(=C\c1ccc(cc1)N(C)C)\C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5277 |
| logD: | 5.6833 |
| logSw: | -6.401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.477 |
| InChI Key: | JANOCDOHUGZFGU-UHFFFAOYSA-N |