2-butyl-3-(3-chlorophenyl)-1-oxo-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-butyl-3-(3-chlorophenyl)-1-oxo-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-butyl-3-(3-chlorophenyl)-1-oxo-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | V030-3250 |
| Compound Name: | 2-butyl-3-(3-chlorophenyl)-1-oxo-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 396.92 |
| Molecular Formula: | C23 H25 Cl N2 O2 |
| Smiles: | CCCCN1C(C(C(NCC=C)=O)c2ccccc2C1=O)c1cccc(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3547 |
| logD: | 4.3547 |
| logSw: | -4.4424 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.428 |
| InChI Key: | QXNDPGSEVHPYON-UHFFFAOYSA-N |