Chemical ID: 6275797

COc1ccc(cc1OC)C(=O)N=c2n(c3ccccc3s2)CC#C
Chemical ID:
6275797
Name [?]:
3,4-dimethoxy-N-(3-prop-2-ynylbenzothiazol-2-ylidene)-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)N=c2n(c3ccccc3s2)CC#C
InChi [?]:
InChI=1/C19H16N2O3S/c1-4-11-21-14-7-5-6-8-17(14)25-19(21)20-18(22)13-9-10-15(23-2)16(12-13)24-3/h1,5-10,12H,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:25,1,10,24,18,19,17,20,5,4,23,7,6,16,3,8,21,11,14,13,15,12,2,9,22/rA:25nCOCCCCCCOCCONCNCCCCCCSCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;w13;s14;s15;s16;d17;s18;d19;d16s20;s14s21;s15;s23;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.92138
Area:539.577
Solvation:-5.56804
Coulombic:-40.1455
Bond Count [?]
All:27
Single:18
Double:8
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):4.39

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