2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(oxolan-2-yl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(oxolan-2-yl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(oxolan-2-yl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-1485 |
| Compound Name: | 2-(4-chlorophenyl)-6,6-dimethyl-3,8-dioxo-N-[(oxolan-2-yl)methyl]-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C23 H25 Cl N2 O4 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCC2CCCO2)=O)=O)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1036 |
| logD: | 2.1033 |
| logSw: | -3.0029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.262 |
| InChI Key: | SQSSDUGRYLTZBC-MRXNPFEDSA-N |