N~2~-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]glycinamide
Chemical Structure Depiction of
N~2~-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]glycinamide
N~2~-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]glycinamide
Compound characteristics
| Compound ID: | Y043-6839 |
| Compound Name: | N~2~-[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]glycinamide |
| Molecular Weight: | 658.65 |
| Molecular Formula: | C31 H29 F3 N4 O7 S |
| Smiles: | CC(N[C@H]1CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)NCC(Nc1nc2ccc(cc2s1)OC(F)(F)F)=O)OC)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.6286 |
| logD: | 4.6286 |
| logSw: | -4.744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.607 |
| InChI Key: | XBQNMGKLHUXBDA-FQEVSTJZSA-N |