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Chemical ID: 7423021
Chemical ID:
7423021
Name [?]:
None
SMILES [?]:
Cc1c2c(oc1C(=O)N3CCN(CC3)C)CCCC24SCCS4
InChi [?]:
InChI=1/C17H24N2O2S2/c1-12-14-13(4-3-5-17(14)22-10-11-23-17)21-15(12)16(20)19-8-6-18(2)7-9-19/h3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,17,16,18,11,13,10,14,21,22,2,4,3,6,7,19,12,9,8,5,20,23/E:(6,7)(8,9)(10,11)(22,23)/rA:23nCCCCOCCONCCNCCCCCCCSCCS/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s4;s16;s17;s3s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O2S2 |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4173 |
Area: | 510.069 |
Solvation: | -2.33445 |
Coulombic: | -33.171 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 352.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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