Chemical ID: 7722987

CCOC(=O)c1c(nc(s1)NC(=O)CSc2nnc(n2C)c3c(nc(s3)N)C)C
Chemical ID:
7722987
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(nc(s1)NC(=O)CSc2nnc(n2C)c3c(nc(s3)N)C)C
InChi [?]:
InChI=1/C16H19N7O3S3/c1-5-26-13(25)11-8(3)19-15(29-11)20-9(24)6-27-16-22-21-12(23(16)4)10-7(2)18-14(17)28-10/h5-6H2,1-4H3,(H2,17,18)(H,19,20,24)
InChi Info:
AuxInfo=1/1/N:1,28,29,21,2,14,23,7,12,22,6,19,4,25,9,16,27,24,8,11,18,17,20,13,5,3,15,26,10/rA:29nCCOCOCCNCSNCOCSCNNCNCCCNCSNCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s20;s19;d22;s23;d24;s22s25;s25;s23;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N7O3S3
All Atoms:48
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:12.9948
Area:677.527
Solvation:-3.94339
Coulombic:-78.1765
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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