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Chemical ID: 7728818
Chemical ID:
7728818
Name [?]:
None
SMILES [?]:
CC(C)Cc1nc2c(c(n1)SCC(=O)NCCOC)c(=O)n(c(=O)n2C)C
InChi [?]:
InChI=1/C17H25N5O4S/c1-10(2)8-11-19-14-13(16(24)22(4)17(25)21(14)3)15(20-11)27-9-12(23)18-6-7-26-5/h10H,6-9H2,1-5H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,19,16,17,4,12,2,5,13,8,7,9,20,23,15,6,10,25,22,14,21,24,18,11/E:(1,2)/rA:27nCCCCCNCCCNSCCONCCOCCONCONCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s8;d20;s20;s22;d23;s7s23;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N5O4S |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2914 |
Area: | 617.468 |
Solvation: | -5.14535 |
Coulombic: | -72.9081 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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