Chemical ID: 7714609

Cc1cccc(c1)C(=O)NCCc2nnc(n2C)SCC(=O)Nc3cccc(c3)C(=O)O
Chemical ID:
7714609
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)NCCc2nnc(n2C)SCC(=O)Nc3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C22H23N5O4S/c1-14-5-3-6-15(11-14)20(29)23-10-9-18-25-26-22(27(18)2)32-13-19(28)24-17-8-4-7-16(12-17)21(30)31/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,29)(H,24,28)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,18,4,26,3,5,27,25,12,11,7,29,20,2,6,28,24,13,21,8,30,16,10,23,14,15,17,22,9,31,32,19/E:(30,31)/rA:32nCCCCCCCCONCCCNNCNCSCCONCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;s13s16;s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N5O4S
All Atoms:55
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:13.0569
Area:727.404
Solvation:-5.1282
Coulombic:-80.6188
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.91
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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