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Chemical ID: 7727337
Chemical ID:
7727337
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3
InChi [?]:
InChI=1/C19H23N3O2S2/c1-3-4-5-13-6-8-14(9-7-13)20-16(23)12-26-19-21-15-10-11-25-17(15)18(24)22(19)2/h6-9H,3-5,10-12H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,6,10,7,9,26,25,14,5,8,18,12,19,20,16,11,17,22,13,21,24,15/E:(6,7)(8,9)/rA:26nCCCCCCCCCCNCOCSCNCCCONCSCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s17;d18;s19;d20;s16s20;s22;s19;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O2S2 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1411 |
Area: | 622.0 |
Solvation: | -3.40886 |
Coulombic: | -43.9721 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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