Chemical ID: 5287555

Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)C)C
Chemical ID:
5287555
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)C)C
InChi [?]:
InChI=1/C22H17N3O3S/c1-11-4-7-14(8-5-11)18-17-19(26)15-10-12(2)6-9-16(15)28-20(17)21(27)25(18)22-24-23-13(3)29-22/h4-10,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,3,7,15,4,6,16,13,2,14,26,5,12,17,9,8,10,19,20,23,25,24,22,11,21,18,27/E:(4,5)(7,8)/rA:29cCCCCCCCCCCOCCCCCCOCCONCNNCSCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;d23;s24;d25;s23s26;s26;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.4589
Area:592.998
Solvation:-3.366
Coulombic:-39.3511
Bond Count [?]
All:33
Single:22
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:403.455
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.37
LogP (Chemaxon):3.48

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Descriptor Annotations

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