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Chemical ID: 7720545
Chemical ID:
7720545
Name [?]:
None
SMILES [?]:
CC(C)Nc1c2c(ccs2)n3c(n1)c(nn3)S(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C16H15N5O2S2/c1-10(2)17-14-13-12(8-9-24-13)21-15(18-14)16(19-20-21)25(22,23)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,25,8,9,2,20,7,6,5,12,14,4,13,15,16,11,18,19,10,17/E:(1,2)(4,5)(6,7)(22,23)/CRV:25.6/rA:25nCCCNCCCCCSNCNCNNSOOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s7;s11;d5s12;d12;s14;s11d15;s14;d17;d17;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N5O2S2 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4226 |
Area: | 537.805 |
Solvation: | -2.02256 |
Coulombic: | -30.7131 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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