Chemical ID: 7683192

CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)C
Chemical ID:
7683192
Name [?]:
None
SMILES [?]:
CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)C
InChi [?]:
InChI=1/C12H18N2O3S/c1-5-7-14(9(4)15)12-13-8(3)10(18-12)11(16)17-6-2/h5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,18,2,13,3,7,16,8,10,5,6,4,17,11,12,9/rA:18nCCCNCNCCSCOOCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;d10;s10;s12;s13;s7;s4;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O3S
All Atoms:36
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.57526
Area:468.541
Solvation:-3.13827
Coulombic:-39.7443
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.27
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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