Chemical ID: 6275809

Cc1ccc(cc1C)C(=O)N=c2n(c3ccccc3s2)CC#C
Chemical ID:
6275809
Name [?]:
3,4-dimethyl-N-(3-prop-2-ynylbenzothiazol-2-ylidene)-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)N=c2n(c3ccccc3s2)CC#C
InChi [?]:
InChI=1/C19H16N2OS/c1-4-11-21-16-7-5-6-8-17(16)23-19(21)20-18(22)15-10-9-13(2)14(3)12-15/h1,5-10,12H,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,8,22,16,17,15,18,3,4,21,6,2,7,5,14,19,9,12,11,13,10,20/rA:23nCCCCCCCCCONCNCCCCCCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;w11;s12;s13;s14;d15;s16;d17;d14s18;s12s19;s13;s21;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6357
Area:510.3
Solvation:-2.12181
Coulombic:-27.8295
Bond Count [?]
All:25
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:320.409
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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