Chemical ID: 6273665

Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3)OC)n2CC=C
Chemical ID:
6273665
Name [?]:
N-(3-allyl-6-methyl-benzothiazol-2-ylidene)-4-methoxy-benzamide
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3)OC)n2CC=C
InChi [?]:
InChI=1/C19H18N2O2S/c1-4-11-21-16-10-5-13(2)12-17(16)24-19(21)20-18(22)14-6-8-15(23-3)9-7-14/h4-10,12H,1,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:24,1,20,23,3,14,18,15,17,4,22,7,2,13,16,5,6,11,9,10,21,12,19,8/E:(6,7)(8,9)/rA:24nCCCCCCCSCNCOCCCCCCOCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s5s9;s21;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.582
Area:544.815
Solvation:-3.03834
Coulombic:-34.1366
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):5.58

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Descriptor Annotations

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