Chemical ID: 6275770

C#CCn1c2ccccc2sc1=NC(=O)c3ccc(cc3)c4ccccc4
Chemical ID:
6275770
Name [?]:
4-phenyl-N-(3-prop-2-ynylbenzothiazol-2-ylidene)-benzamide
SMILES [?]:
C#CCn1c2ccccc2sc1=NC(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C23H16N2OS/c1-2-16-25-20-10-6-7-11-21(20)27-23(25)24-22(26)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h1,3-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,7,8,23,27,6,9,18,20,17,21,3,22,19,16,5,10,14,12,13,4,15,11/E:(4,5)(8,9)(12,13)(14,15)/rA:27nCCCNCCCCCCSCNCOCCCCCCCCCCCC/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16N2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7836
Area:571.461
Solvation:-2.50293
Coulombic:-29.6721
Bond Count [?]
All:30
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:368.452
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.05
LogP (Chemaxon):6.58

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