6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide
Chemical Structure Depiction of
6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide
6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide
Compound characteristics
| Compound ID: | Y043-6170 |
| Compound Name: | 6-{[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide |
| Molecular Weight: | 564.64 |
| Molecular Formula: | C29 H36 N6 O6 |
| Smiles: | CC(N[C@H]1CCc2cc(c(c(c2C2=CC=C(C(C=C12)=O)NCCCCCC(Nc1nc[nH]n1)=O)OC)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.765 |
| logD: | 0.7597 |
| logSw: | -1.8426 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 132.588 |
| InChI Key: | MJVYXEJQOFJOON-NRFANRHFSA-N |