1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0026 |
| Compound Name: | 1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C21 H12 N6 O2 S2 |
| Smiles: | C(c1ccccc1)Sc1nnc(N2C3=C(C=C(C#N)C2=O)C(N2C=CC=CC2=N3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3755 |
| logD: | 2.3754 |
| logSw: | -2.5185 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.427 |
| InChI Key: | ZZHCWQJZRCAJPI-UHFFFAOYSA-N |