Chemical ID: 7423021

Cc1c2c(oc1C(=O)N3CCN(CC3)C)CCCC24SCCS4
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

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Descriptor Annotations

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