Chemical ID: 6274063

COc1ccc(c(c1)OC)C(=O)N=c2n(c3ccccc3s2)CC=C
Chemical ID:
6274063
Name [?]:
N-(3-allylbenzothiazol-2-ylidene)-2,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N=c2n(c3ccccc3s2)CC=C
InChi [?]:
InChI=1/C19H18N2O3S/c1-4-11-21-15-7-5-6-8-17(15)25-19(21)20-18(22)14-10-9-13(23-2)12-16(14)24-3/h4-10,12H,1,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:25,1,10,24,18,19,17,20,4,5,23,8,3,6,16,7,21,11,14,13,15,12,2,9,22/rA:25nCOCCCCCCOCCONCNCCCCCCSCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s15;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.8248
Area:535.779
Solvation:-4.56967
Coulombic:-39.7863
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.29
LogP (Chemaxon):4.86

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Descriptor Annotations

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