Chemical ID: 7727413

CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)OC)CCS2
Chemical ID:
7727413
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)OC)CCS2
InChi [?]:
InChI=1/C17H19N3O3S2/c1-3-20-16(22)15-13(8-9-24-15)19-17(20)25-10-14(21)18-11-4-6-12(23-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,16,20,17,19,23,24,11,15,18,7,12,6,4,9,14,8,3,13,5,21,25,10/E:(4,5)(6,7)/rA:25nCCNCOCCNCSCCONCCCCCCOCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O3S2
All Atoms:44
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.85778
Area:579.268
Solvation:-4.62393
Coulombic:-49.6614
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:1.5
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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