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Chemical ID: 4903388

CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)F

Chemical ID:

4903388

Name [?]:

None

SMILES [?]:

CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)F

InChi [?]:

InChI=1/C21H13ClFN3O3S/c1-2-15-24-25-21(30-15)26-17(10-4-3-5-12(23)8-10)16-18(27)13-9-11(22)6-7-14(13)29-19(16)20(26)28/h3-9,17H,2H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,26,25,27,16,17,29,14,24,15,28,13,18,3,10,9,11,20,21,6,23,30,4,5,8,12,22,19,7/rA:30cCCCNNCSNCCCOCCCCCCOCCOClCCCCCCF/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₃ClFN₃O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.0462
Area:	617.301
Solvation:	-4.38633
Coulombic:	-42.654

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	441.863
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.53
LogP (Chemaxon):	3.83

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