Chemical ID: 6275421

Cc1ccc2c(c1)sc(=NC(=O)c3cc(=O)c4ccccc4o3)n2CC#C
Chemical ID:
6275421
Name [?]:
N-(6-methyl-3-prop-2-ynyl-benzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)c3cc(=O)c4ccccc4o3)n2CC#C
InChi [?]:
InChI=1/C21H14N2O3S/c1-3-10-23-15-9-8-13(2)11-19(15)27-21(23)22-20(25)18-12-16(24)14-6-4-5-7-17(14)26-18/h1,4-9,11-12H,10H2,2H3
InChi Info:
AuxInfo=1/0/N:27,1,26,19,20,18,21,3,4,25,7,14,2,17,5,15,22,13,6,11,9,10,24,16,12,23,8/rA:27nCCCCCCCSCNCOCCCOCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;d13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13s22;s5s9;s24;s25;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3476
Area:580.076
Solvation:-3.15427
Coulombic:-44.0779
Bond Count [?]
All:30
Single:19
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:374.414
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):5.25

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Descriptor Annotations

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