1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide
Chemical Structure Depiction of
1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide
1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C885-0543 |
| Compound Name: | 1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-3-carboxamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C21 H25 N5 O2 S2 |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC(C1)C(NCCc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5458 |
| logD: | 2.5408 |
| logSw: | -2.8586 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.159 |
| InChI Key: | IDQPXSSDBVNJDS-INIZCTEOSA-N |