N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G755-0680 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide |
| Molecular Weight: | 435.95 |
| Molecular Formula: | C18 H18 Cl N5 O2 S2 |
| Smiles: | C1CCC(CC1)C(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3612 |
| logD: | 3.3547 |
| logSw: | -3.6331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.662 |
| InChI Key: | OAHLJDFUVAIOBO-UHFFFAOYSA-N |