methyl 4-(3-bromoanilino)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(3-bromoanilino)-4-oxobutanoate
methyl 4-(3-bromoanilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8004-0111 |
| Compound Name: | methyl 4-(3-bromoanilino)-4-oxobutanoate |
| Molecular Weight: | 286.12 |
| Molecular Formula: | C11 H12 Br N O3 |
| Smiles: | COC(CCC(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1591 |
| logD: | 2.1588 |
| logSw: | -2.975 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.967 |
| InChI Key: | VSUANZCKMBHIMU-UHFFFAOYSA-N |