1-(5-{[(4-methylphenyl)methyl]sulfanyl}-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-{[(4-methylphenyl)methyl]sulfanyl}-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-{[(4-methylphenyl)methyl]sulfanyl}-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: | D021-0021 |
| Compound Name: | 1-(5-{[(4-methylphenyl)methyl]sulfanyl}-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: | 458.52 |
| Molecular Formula: | C22 H14 N6 O2 S2 |
| Smiles: | Cc1ccc(CSc2nnc(N3C4=C(C=C(C#N)C3=O)C(N3C=CC=CC3=N4)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7989 |
| logD: | 2.7988 |
| logSw: | -2.9824 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.427 |
| InChI Key: | DQGVRGIWEMNCRC-UHFFFAOYSA-N |