Chemical ID: 6923956

CCOc1ccc(cc1)c2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
6923956
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)c2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C18H18N2O2S/c1-2-22-12-9-7-11(8-10-12)16-19-17(21)15-13-5-3-4-6-14(13)23-18(15)20-16/h7-10H,2-6H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,20,6,8,5,9,7,4,15,16,14,10,12,18,11,19,13,3,17/E:(7,8)(9,10)/rA:23nCCOCCCCCCCNCOCCCSCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d14s17;d10s18;s16;s20;s21;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2S
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2291
Area:516.26
Solvation:-2.67745
Coulombic:-35.5064
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.414
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.71
LogP (Chemaxon):3.92

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Descriptor Annotations

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