8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | E796-0326 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(2,5-dimethylanilino)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 481.58 |
| Molecular Formula: | C27 H23 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC1=NN2C(=Nc3cc(ccc3C2=O)C(N2CCc3ccccc3C2)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2225 |
| logD: | 4.2122 |
| logSw: | -4.1074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.479 |
| InChI Key: | UAEYCTMAVQKUEY-UHFFFAOYSA-N |