Chemical ID: 7686700

CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)Cc2cccs2
Chemical ID:
7686700
Name [?]:
None
SMILES [?]:
CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)Cc2cccs2
InChi [?]:
InChI=1/C16H20N2O3S2/c1-4-8-18(13(19)10-12-7-6-9-22-12)16-17-11(3)14(23-16)15(20)21-5-2/h6-7,9H,4-5,8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,2,13,21,20,3,22,18,7,19,16,8,10,5,6,4,17,11,12,23,9/rA:23nCCCNCNCCSCOOCCCCOCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;d10;s10;s12;s13;s7;s4;d16;s16;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3S2
All Atoms:43
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:10.6036
Area:572.003
Solvation:-3.69648
Coulombic:-40.971
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.86
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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