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Chemical ID: 7736108

COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3cccc(c3)F

Chemical ID:

7736108

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3cccc(c3)F

InChi [?]:

InChI=1/C19H16FN3O4S/c1-27-17-5-7-18(8-6-17)28(25,26)23-16-9-13(11-21-12-16)19(24)22-15-4-2-3-14(20)10-15/h2-12,23H,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,24,25,23,4,8,5,7,14,27,16,18,15,26,22,13,3,6,19,28,17,21,12,20,10,11,2,9/E:(5,6)(7,8)(25,26)/CRV:28.6/rA:28nCOCCCCCCSOONCCCCNCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s15;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆FN₃O₄S
All Atoms:	44
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	9.2356
Area:	592.045
Solvation:	-5.56553
Coulombic:	-47.8769

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.51
LogP (Chemaxon):	None

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