Chemical ID: 7727345

Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)OC)CCS2
Chemical ID:
7727345
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(nc1SCC(=O)Nc3ccc(cc3)OC)CCS2
InChi [?]:
InChI=1/C16H17N3O3S2/c1-19-15(21)14-12(7-8-23-14)18-16(19)24-9-13(20)17-10-3-5-11(22-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,21,15,19,16,18,22,23,10,14,17,6,11,5,3,8,13,7,2,12,4,20,24,9/E:(3,4)(5,6)/rA:24nCNCOCCNCSCCONCCCCCCOCCCS/rB:s1;s2;d3;s3;d5;s6;s2d7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s6;s22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O3S2
All Atoms:41
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.30011
Area:558.596
Solvation:-4.66479
Coulombic:-49.3694
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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