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Chemical ID: 7671276
Chemical ID:
7671276
Name [?]:
None
SMILES [?]:
CCc1nc2c(c(n1)SCC(=O)N3CCCCC3)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C17H23N5O3S/c1-4-11-18-14-13(16(24)21(3)17(25)20(14)2)15(19-11)26-10-12(23)22-8-6-5-7-9-22/h4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,16,15,17,14,18,10,3,11,6,5,7,19,22,4,8,24,21,13,12,20,23,9/E:(6,7)(8,9)/rA:26nCCCNCCCNSCCONCCCCCCONCONCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s6;d19;s19;s21;d22;s5s22;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N5O3S |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7027 |
Area: | 574.482 |
Solvation: | -3.65937 |
Coulombic: | -60.4802 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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