Chemical ID: 7660716

Cc1ccc(c(c1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)O
Chemical ID:
7660716
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSc4nnc(s4)C)C(=O)O
InChi [?]:
InChI=1/C20H20N4O4S3/c1-9-4-5-13(10(2)6-9)16(25)21-14-17(26)24-15(19(27)28)12(7-29-18(14)24)8-30-20-23-22-11(3)31-20/h4-6,14,18H,7-8H2,1-3H3,(H,21,25)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,8,28,3,4,7,19,21,2,6,26,18,5,12,17,9,15,13,29,23,11,25,24,14,10,16,30,31,20,22,27/E:(27,28)/rA:31cCCCCCCCCCONCCNCOCCCSCSCNNCSCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;s13;s12s14;d15;s14;d17;s18;s13s19;s18;s21;s22;d23;s24;d25;s23s26;s26;s17;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N4O4S3
All Atoms:51
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:12.5774
Area:696.748
Solvation:-4.84134
Coulombic:-71.253
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.2
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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