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Chemical ID: 7308225
Chemical ID:
7308225
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)c4c(s3)CCCC4
InChi [?]:
InChI=1/C20H20N2O3S/c1-2-25-14-9-7-13(8-10-14)16(23)11-22-12-21-19-18(20(22)24)15-5-3-4-6-17(15)26-19/h7-10,12H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,23,6,8,5,9,12,14,7,4,20,10,21,17,16,18,15,13,11,19,3,22/E:(7,8)(9,10)/rA:26nCCOCCCCCCCOCNCNCCCOCCSCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86359 |
Area: | 569.9 |
Solvation: | -4.38392 |
Coulombic: | -37.4352 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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