Chemical ID: 7727344

Cn1c(=O)c2c(nc1SCC(=O)Nc3cc(ccc3OC)Cl)CCS2
Chemical ID:
7727344
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3cc(ccc3OC)Cl)CCS2
InChi [?]:
InChI=1/C16H16ClN3O3S2/c1-20-15(22)14-10(5-6-24-14)19-16(20)25-8-13(21)18-11-7-9(17)3-4-12(11)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,17,18,23,24,15,10,16,6,14,19,11,5,3,8,22,13,7,2,12,4,20,25,9/rA:25nCNCOCCNCSCCONCCCCCCOCClCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s16;s6;s23;s5s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClN3O3S2
All Atoms:41
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.4528
Area:590.508
Solvation:-4.30994
Coulombic:-50.4661
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.7
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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