Chemical ID: 7681097

CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)CC
Chemical ID:
7681097
Name [?]:
None
SMILES [?]:
CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)CC
InChi [?]:
InChI=1/C13H20N2O3S/c1-5-8-15(10(16)6-2)13-14-9(4)11(19-13)12(17)18-7-3/h5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,14,15,2,18,13,3,7,16,8,10,5,6,4,17,11,12,9/rA:19nCCCNCNCCSCOOCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;d10;s10;s12;s13;s7;s4;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O3S
All Atoms:39
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:9.25057
Area:491.947
Solvation:-3.0481
Coulombic:-40.4025
Bond Count [?]
All:19
Single:15
Double:4
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.52
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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