Chemical ID: 6275381

Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3)OC)n2CC#C
Chemical ID:
6275381
Name [?]:
4-methoxy-N-(6-methyl-3-prop-2-ynyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3)OC)n2CC#C
InChi [?]:
InChI=1/C19H16N2O2S/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/h1,5-10,12H,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;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2671
Area:545.82
Solvation:-3.37835
Coulombic:-34.5511
Bond Count [?]
All:26
Single:17
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:336.409
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):5.11

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Descriptor Annotations

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