Chemical Property of Vintriptolum
Chemical Property:
- PSA:192.92000
- Density:1.4g/cm3
- LogP:5.35070
- XLogP3:5.5
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:12
- Rotatable Bond Count:13
- Exact Mass:968.50477777
- Heavy Atom Count:71
- Complexity:2050
- Purity/Quality:
-
VINTRIPTOL 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC)O)O)CC)OC)C(=O)OC)O
- Isomeric SMILES:CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC)O)O)CC)OC)C(=O)OC)O