3-(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)-N-[(pyridin-3-yl)methyl]propanamide
Chemical Structure Depiction of
3-(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)-N-[(pyridin-3-yl)methyl]propanamide
3-(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)-N-[(pyridin-3-yl)methyl]propanamide
Compound characteristics
| Compound ID: | Y041-6494 |
| Compound Name: | 3-(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)-N-[(pyridin-3-yl)methyl]propanamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C27 H30 N2 O4 |
| Smiles: | CC1=C(CCC(NCc2cccnc2)=O)C(=O)Oc2cc3c(CCC4(CCCCC4)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 4.194 |
| logD: | 4.1916 |
| logSw: | -4.1465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.614 |
| InChI Key: | JOMGKYDSHVZWMU-UHFFFAOYSA-N |