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Chemical ID: 5273798
Chemical ID:
5273798
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCCc4ccccc4)c5ccccc5)C1
InChi [?]:
InChI=1/C24H23N3OS2/c1-26-14-12-19-20(16-26)30-22-21(19)23(28)27(18-10-6-3-7-11-18)24(25-22)29-15-13-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,27,20,22,26,28,19,23,25,29,4,17,3,16,30,18,24,5,6,9,8,10,13,14,2,12,11,15,7/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCNCCCCSCCCONCNSCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s12;s24;d25;s26;d27;d24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3OS2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8294 |
Area: | 646.206 |
Solvation: | -2.3258 |
Coulombic: | -31.4484 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 433.591 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.45 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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