Chemical ID: 4895225

Cc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5ccccc5F
Chemical ID:
4895225
Name [?]:
None
SMILES [?]:
Cc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5ccccc5F
InChi [?]:
InChI=1/C20H11ClFN3O3S/c1-9-23-24-20(29-9)25-16(11-4-2-3-5-13(11)22)15-17(26)12-8-10(21)6-7-14(12)28-18(15)19(25)27/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,26,24,27,15,16,13,2,14,23,12,28,17,9,8,10,19,20,5,22,29,3,4,7,11,21,18,6/rA:29cCCNNCSNCCCOCCCCCCOCCOClCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11ClFN3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.1706
Area:581.731
Solvation:-4.37273
Coulombic:-42.072
Bond Count [?]
All:33
Single:22
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:427.837
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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