2-anilino-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-anilino-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-anilino-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | K284-7830 |
| Compound Name: | 2-anilino-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C25 H19 N5 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N3C(=Nc2c1)SC(Nc1ccccc1)=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7012 |
| logD: | 3.6964 |
| logSw: | -4.057 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.177 |
| InChI Key: | CQANYMGVRUFOKP-UHFFFAOYSA-N |