1-(3-bromophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(3-bromophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(3-bromophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0079 |
| Compound Name: | 1-(3-bromophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 393.2 |
| Molecular Formula: | C18 H9 Br N4 O2 |
| Smiles: | C1C=CN2C(C=1)=NC1=C(C=C(C#N)C(N1c1cccc(c1)[Br])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.2741 |
| logD: | 2.2741 |
| logSw: | -2.6253 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.019 |
| InChI Key: | NHBGQNMFHYSUQY-UHFFFAOYSA-N |