2,4-diamino-5-(3-bromophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-5-(3-bromophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4-diamino-5-(3-bromophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 8017-4643 |
Compound Name: | 2,4-diamino-5-(3-bromophenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
Molecular Weight: | 439.31 |
Molecular Formula: | C21 H19 Br N4 O2 |
Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Br])c3c(c(C#N)c(N)nc3O2)N)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6632 |
logD: | 3.6632 |
logSw: | -4.3736 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 86.763 |
InChI Key: | JABFBWOKJPSRLZ-OAHLLOKOSA-N |