Chemical Property of Cpd-II
Chemical Property:
- Boiling Point:1759.0±65.0 °C(Predicted)
- PKA:9.83±0.15(Predicted)
- Density:1.375±0.06 g/cm3(Predicted)
- XLogP3:-3.1
- Hydrogen Bond Donor Count:15
- Hydrogen Bond Acceptor Count:15
- Rotatable Bond Count:31
- Exact Mass:1179.54614206
- Heavy Atom Count:85
- Complexity:2420
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)N
- Isomeric SMILES:C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C(CC(=O)N)N
