Chemical ID: 7678043

CCOC(=O)c1c(c(sc1NC2c3ccccc3C(=O)O2)C(=O)OCC)C
Chemical ID:
7678043
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c(sc1NC2c3ccccc3C(=O)O2)C(=O)OCC)C
InChi [?]:
InChI=1/C19H19NO6S/c1-4-24-18(22)13-10(3)14(19(23)25-5-2)27-16(13)20-15-11-8-6-7-9-12(11)17(21)26-15/h6-9,15,20H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,25,15,16,14,17,7,13,18,6,8,12,10,19,4,22,11,20,5,23,3,24,21,9/rA:27cCCOCOCCCSCNCCCCCCCCOOCOOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s12s19;s8;d22;s22;s24;s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO6S
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.4136
Area:618.432
Solvation:-4.04726
Coulombic:-71.4422
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.57
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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