N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0332 |
| Compound Name: | N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCCCN(CCNC(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O)Cc1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5243 |
| logD: | 3.036 |
| logSw: | -3.7122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.65 |
| InChI Key: | XBGKNLSIKIWAAN-UHFFFAOYSA-N |