Chemical ID: 7667758

COc1ccc(cc1)c2csc(n2)NC(=O)COc3cccc(c3)OC
Chemical ID:
7667758
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)COc3cccc(c3)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-8-6-13(7-9-14)17-12-26-19(20-17)21-18(22)11-25-16-5-3-4-15(10-16)24-2/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,21,22,20,5,7,4,8,24,17,10,6,3,23,19,9,15,12,13,14,16,2,25,18,11/E:(6,7)(8,9)/rA:26nCOCCCCCCCCSCNNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:7.61576
Area:599.306
Solvation:-7.36688
Coulombic:-47.6793
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.34
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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