N-[3-(cyclohexylsulfanyl)propyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C885-0250 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 449.64 |
| Molecular Formula: | C21 H31 N5 O2 S2 |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCC(CC1)C(NCCCSC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9165 |
| logD: | 2.9125 |
| logSw: | -3.0703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.418 |
| InChI Key: | BRQLTLOWVCNFHQ-UHFFFAOYSA-N |