Chemical ID: 7727403

CCc1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2CC)SCC3
Chemical ID:
7727403
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2CC)SCC3
InChi [?]:
InChI=1/C18H21N3O2S2/c1-3-12-5-7-13(8-6-12)19-15(22)11-25-18-20-14-9-10-24-16(14)17(23)21(18)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,4,8,5,7,25,24,12,3,6,16,10,17,18,14,9,15,20,11,19,23,13/E:(5,6)(7,8)/rA:25nCCCCCCCCNCOCSCNCCCONCCSCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s17;d18;s14s18;s20;s21;s17;s23;s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O2S2
All Atoms:46
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.419
Area:591.08
Solvation:-3.35797
Coulombic:-43.6036
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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