4-(4-bromoanilino)-3-butanoyl-6-methyl-2H-pyran-2-one
Chemical Structure Depiction of
4-(4-bromoanilino)-3-butanoyl-6-methyl-2H-pyran-2-one
4-(4-bromoanilino)-3-butanoyl-6-methyl-2H-pyran-2-one
Compound characteristics
| Compound ID: | 8016-8489 |
| Compound Name: | 4-(4-bromoanilino)-3-butanoyl-6-methyl-2H-pyran-2-one |
| Molecular Weight: | 350.21 |
| Molecular Formula: | C16 H16 Br N O3 |
| Smiles: | CCCC(C1=C(C=C(C)OC1=O)Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1165 |
| logD: | 3.6099 |
| logSw: | -4.2586 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.933 |
| InChI Key: | MIWRWCGZXLBYGC-UHFFFAOYSA-N |