N-(3-chloro-2-methylphenyl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
N-(3-chloro-2-methylphenyl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C697-0339 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-1-{5-[2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C21 H27 Cl N4 O4 S |
| Smiles: | Cc1c(cccc1[Cl])NC(C1CCCN(C1)S(c1c(C)noc1/C=C/N(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1669 |
| logD: | 2.1613 |
| logSw: | -2.9743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.562 |
| InChI Key: | YNVMQQMXCFFCKD-INIZCTEOSA-N |