Chemical ID: 7658018

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COc3ccccc3)SC1)C(=O)O
Chemical ID:
7658018
Name [?]:
None
SMILES [?]:
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COc3ccccc3)SC1)C(=O)O
InChi [?]:
InChI=1/C18H18N2O7S/c1-10(21)26-7-11-9-28-17-14(16(23)20(17)15(11)18(24)25)19-13(22)8-27-12-5-3-2-4-6-12/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,5,16,25,2,6,18,14,10,7,11,9,26,13,8,3,15,12,27,28,4,17,24/E:(3,4)(5,6)(24,25)/rA:28cCCOOCCCNCCCONCOCOCCCCCCSCCOO/rB:s1;d2;s2;s4;s5;d6;s7;s8;s9;s8s10;d11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s9;s6s24;s7;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O7S
All Atoms:46
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:7.62822
Area:613.088
Solvation:-7.69899
Coulombic:-89.4963
Bond Count [?]
All:30
Single:22
Double:8
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.61
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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