6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoic acid
Chemical Structure Depiction of
6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoic acid
6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoic acid
Compound characteristics
| Compound ID: | Y043-7906 |
| Compound Name: | 6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoic acid |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C27 H34 N2 O7 |
| Smiles: | CC(N[C@H]1CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)NCCCCCC(O)=O)OC)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5249 |
| logD: | -1.3032 |
| logSw: | -1.8272 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.256 |
| InChI Key: | HWEFYAQNJGOSTJ-FQEVSTJZSA-N |