Chemical ID: 7660707

CCC(CC)C(=O)NC1C2N(C1=O)C(=C(CS2)CSc3nnc(s3)C)C(=O)O
Chemical ID:
7660707
Name [?]:
None
SMILES [?]:
CCC(CC)C(=O)NC1C2N(C1=O)C(=C(CS2)CSc3nnc(s3)C)C(=O)O
InChi [?]:
InChI=1/C17H22N4O4S3/c1-4-9(5-2)13(22)18-11-14(23)21-12(16(24)25)10(6-26-15(11)21)7-27-17-20-19-8(3)28-17/h9,11,15H,4-7H2,1-3H3,(H,18,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,5,25,2,4,16,18,23,3,15,9,14,6,12,10,26,20,8,22,21,11,7,13,27,28,17,19,24/E:(1,2)(4,5)(24,25)/rA:28cCCCCCCONCCNCOCCCSCSCNNCSCCOO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s9s11;d12;s11;d14;s15;s10s16;s15;s18;s19;d20;s21;d22;s20s23;s23;s14;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O4S3
All Atoms:50
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.8322
Area:664.762
Solvation:-4.78687
Coulombic:-69.8242
Bond Count [?]
All:30
Single:24
Double:6
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.29
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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