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Chemical ID: 4700739
Chemical ID:
4700739
Name [?]:
3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-6-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-8-oxa-3,7-diazabicyclo[3.3.0]oct-6-ene-2,4-dione
SMILES [?]:
CC1(NC(=O)N(N1)c2ccc(cc2Cl)Cl)C3=NOC4C3C(=O)N(C4=O)N(C)c5c(cc(cn5)C(F)(F)F)Cl
InChi [?]:
None
InChi Info:
None
Chemical Details
Atom Count
Formula: | C21H15Cl3F3N7O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 11.3867 |
Area: | 734.544 |
Solvation: | -6.97686 |
Coulombic: | -84.4999 |
Bond Count [?]
All: | 42 |
Single: | 32 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 592.742 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 3.33 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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