Chemical ID: 5272146

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)c5nncs5
Chemical ID:
5272146
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)c5nncs5
InChi [?]:
InChI=1/C20H12FN3O3S/c1-10-6-7-14-12(8-10)17(25)15-16(11-4-2-3-5-13(11)21)24(19(26)18(15)27-14)20-23-22-9-28-20/h2-9,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,21,3,4,7,27,2,17,6,22,5,10,16,8,11,13,24,23,26,25,15,9,14,12,28/rA:28cCCCCCCCCOCCOCONCCCCCCCFCNNCS/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s15;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12FN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.05621
Area:541.372
Solvation:-4.4781
Coulombic:-41.9067
Bond Count [?]
All:32
Single:21
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:393.392
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):2.87

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Descriptor Annotations

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