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Chemical ID: 5809200

c1ccc(c(c1)CNC(=O)c2cc3nc(cc(n3n2)C(F)(F)Cl)c4ccco4)F

Chemical ID:

5809200

Name [?]:

5-(chloro-difluoro-methyl)-N-[(2-fluorophenyl)methyl]-3-(2-furyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene-8-carboxamide

SMILES [?]:

c1ccc(c(c1)CNC(=O)c2cc3nc(cc(n3n2)C(F)(F)Cl)c4ccco4)F

InChi [?]:

InChI=1/C19H12ClF3N4O2/c20-19(22,23)16-8-13(15-6-3-7-29-15)25-17-9-14(26-27(16)17)18(28)24-10-11-4-1-2-5-12(11)21/h1-9H,10H2,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,2,26,6,3,25,27,16,12,7,5,4,15,11,24,17,13,9,20,23,29,21,22,8,14,19,18,10,28/E:(22,23)/rA:29nCCCCCCCNCOCCCNCCCNNCFFClCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;s15;d16;s13s17;d11s18;s17;s20;s20;s20;s15;d24;s25;d26;s24s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₂ClF₃N₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7494
Area:	605.403
Solvation:	-4.38572
Coulombic:	-58.7382

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	420.772
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.86
LogP (Chemaxon):	4.0

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value