Chemical ID: 7727418

CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc4c(c3)OCCO4)CCS2
Chemical ID:
7727418
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc4c(c3)OCCO4)CCS2
InChi [?]:
InChI=1/C18H19N3O4S2/c1-2-21-17(23)16-12(5-8-26-16)20-18(21)27-10-15(22)19-11-3-4-13-14(9-11)25-7-6-24-13/h3-4,9H,2,5-8,10H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,25,23,22,26,20,11,15,7,18,19,12,6,4,9,14,8,3,13,5,24,21,27,10/rA:27nCCNCOCCNCSCCONCCCCCCOCCOCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s7;s25;s6s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O4S2
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:10.0562
Area:599.934
Solvation:-4.94216
Coulombic:-58.318
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.21
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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