N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C796-0245 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 544.12 |
| Molecular Formula: | C26 H34 Cl N7 O2 S |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC(C1)C(NCCCN1CCN(CC1)c1cc(ccc1C)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1016 |
| logD: | 1.9008 |
| logSw: | -3.5369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.101 |
| InChI Key: | UCOLAYPDKLWFCC-FQEVSTJZSA-N |