ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0274 |
| Compound Name: | ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 557.83 |
| Molecular Formula: | C25 H22 Br Cl N4 O4 |
| Smiles: | CCCCN1C2=C(C=C(/C1=N/C(c1cc(ccc1[Cl])[Br])=O)C(=O)OCC)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8056 |
| logD: | 4.8055 |
| logSw: | -4.8536 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.944 |
| InChI Key: | PTPOSXDBKYHJFF-UHFFFAOYSA-N |