Chemical ID: 7530886

Cc1c2cc(ccc2oc1C(=O)Nc3nc4ccc(cc4s3)OC)Br
Chemical ID:
7530886
Name [?]:
5-bromo-N-(6-methoxybenzothiazol-2-yl)-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)Nc3nc4ccc(cc4s3)OC)Br
InChi [?]:
InChI=1/C18H13BrN2O3S/c1-9-12-7-10(19)3-6-14(12)24-16(9)17(22)21-18-20-13-5-4-11(23-2)8-15(13)25-18/h3-8H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,6,18,17,7,4,20,2,5,19,3,16,8,21,10,11,14,25,15,13,12,23,9,22/rA:25nCCCCCCCCOCCONCNCCCCCCSOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s19;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13BrN2O3S
All Atoms:38
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.4591
Area:561.159
Solvation:-3.5699
Coulombic:-43.7444
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.82
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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