1-(3-bromophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(3-bromophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(3-bromophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0055 |
| Compound Name: | 1-(3-bromophenyl)-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 407.22 |
| Molecular Formula: | C19 H11 Br N4 O2 |
| Smiles: | CC1C=CC2=NC3=C(C=C(C#N)C(N3c3cccc(c3)[Br])=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5783 |
| logD: | 2.5783 |
| logSw: | -2.7096 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.538 |
| InChI Key: | OEARJYORJLSCPI-UHFFFAOYSA-N |