N-[(4-chlorophenyl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
N-[(4-chlorophenyl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F061-1306 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide |
| Molecular Weight: | 528.07 |
| Molecular Formula: | C27 H30 Cl N3 O4 S |
| Smiles: | Cc1ccc(C)c(/C=C/c2c(c(C)no2)S(N2CCCC(C2)C(NCc2ccc(cc2)[Cl])=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6001 |
| logD: | 4.6 |
| logSw: | -4.7268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.812 |
| InChI Key: | LSMYWLQSPLVTLO-QHCPKHFHSA-N |