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Chemical ID: 7693204
Chemical ID:
7693204
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)C4CCCC4
InChi [?]:
InChI=1/C19H18N2O2S/c22-18-17(13-16-11-6-12-23-16)24-19(20-14-7-2-1-3-8-14)21(18)15-9-4-5-10-15/h1-3,6-8,11-13,15H,4-5,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,16,3,5,21,24,15,17,13,4,20,14,12,10,8,7,9,11,18,19/E:(2,3)(4,5)(7,8)(9,10)/rA:24nCCCCCCNCNCOCCCCCCOSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s8s12;s9;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.91424 |
Area: | 501.56 |
Solvation: | -2.62475 |
Coulombic: | -32.1985 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.19 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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