Chemical ID: 6276422

Cc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)S(=O)(=O)C)CC#C
Chemical ID:
6276422
Name [?]:
4-methyl-N-(6-methylsulfonyl-3-prop-2-ynyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)S(=O)(=O)C)CC#C
InChi [?]:
InChI=1/C19H16N2O3S2/c1-4-11-21-16-10-9-15(26(3,23)24)12-17(16)25-19(21)20-18(22)14-7-5-13(2)6-8-14/h1,5-10,12H,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:26,1,23,25,3,7,4,6,15,14,24,17,2,5,16,13,18,8,11,10,12,9,21,22,19,20/E:(5,6)(7,8)(23,24)/CRV:26.6/rA:26nCCCCCCCCONCNCCCCCCSSOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;s13;d14;s15;d16;d13s17;s11s18;s16;d20;d20;s20;s12;s24;t25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2747
Area:570.394
Solvation:-3.98517
Coulombic:-28.504
Bond Count [?]
All:28
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:384.474
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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