N-(4-chloro-2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-(4-chloro-2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C226-3498 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C17 H19 Cl N2 O4 |
| Smiles: | COc1cc(c(cc1NC(c1c2CCCCCc2on1)=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8188 |
| logD: | 3.525 |
| logSw: | -4.2931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.624 |
| InChI Key: | HGLUPSCGUCPBOJ-UHFFFAOYSA-N |