4-{methyl[(7RS)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}but-2-yn-1-yl 4-methoxybenzoate
Chemical Structure Depiction of
4-{methyl[(7RS)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}but-2-yn-1-yl 4-methoxybenzoate
4-{methyl[(7RS)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}but-2-yn-1-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | N051-0028 |
| Compound Name: | 4-{methyl[(7RS)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}but-2-yn-1-yl 4-methoxybenzoate |
| Molecular Weight: | 573.64 |
| Molecular Formula: | C33 H35 N O8 |
| Smiles: | [H][C@@]1(CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)OC)OC)OC)OC)N(C)CC#CCOC(c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9714 |
| logD: | 3.9714 |
| logSw: | -4.5113 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.919 |
| InChI Key: | WFDVTDMCODNHNA-SANMLTNESA-N |