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Chemical ID: 7722987
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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