1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0007 |
| Compound Name: | 1-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C22 H13 Cl N6 O2 S2 |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C#N)C(N1c1nnc(SCc3ccccc3[Cl])s1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.5822 |
| logD: | 3.5821 |
| logSw: | -3.719 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.448 |
| InChI Key: | MYSCMZGHXCXFNE-UHFFFAOYSA-N |