2-(benzylamino)-8-(3-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(benzylamino)-8-(3-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(benzylamino)-8-(3-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | C200-3999 |
| Compound Name: | 2-(benzylamino)-8-(3-methylpiperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CC1CCCN(C1)C(c1ccc2C(N3C(=Nc2c1)SC(NCc1ccccc1)=N3)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8588 |
| logD: | 2.8401 |
| logSw: | -3.5977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.771 |
| InChI Key: | BTNIPBYEXUHMPJ-HNNXBMFYSA-N |