N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Chemical Structure Depiction of
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Compound characteristics
| Compound ID: | Y041-7637 |
| Compound Name: | N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide |
| Molecular Weight: | 644.65 |
| Molecular Formula: | C31 H35 F3 N6 O6 |
| Smiles: | CC(N[C@H]1CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)NCCCC(N1CCn2c(C1)nnc2C(F)(F)F)=O)OC)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0054 |
| logD: | 0.9871 |
| logSw: | -1.8946 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.699 |
| InChI Key: | SVDMEFSBHJNWAF-NRFANRHFSA-N |