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 2-bromobenzoate
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 2-bromobenzoate
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 2-bromobenzoate
Compound characteristics
| Compound ID: | N051-0029 |
| 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 2-bromobenzoate |
| Molecular Weight: | 622.51 |
| Molecular Formula: | C32 H32 Br N O7 |
| Smiles: | [H][C@@]1(CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)OC)OC)OC)OC)N(C)CC#CCOC(c1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0948 |
| logD: | 4.0947 |
| logSw: | -4.5006 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.376 |
| InChI Key: | AFEBHDYFUCBLCW-VWLOTQADSA-N |