Chemical ID: 6275883

C#CCn1c2ccccc2sc1=NC(=O)Cc3ccccc3
Chemical ID:
6275883
Name [?]:
2-phenyl-N-(3-prop-2-ynylbenzothiazol-2-ylidene)-acetamide
SMILES [?]:
C#CCn1c2ccccc2sc1=NC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C18H14N2OS/c1-2-12-20-15-10-6-7-11-16(15)22-18(20)19-17(21)13-14-8-4-3-5-9-14/h1,3-11H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,7,8,18,22,6,9,3,16,17,5,10,14,12,13,4,15,11/E:(4,5)(8,9)/rA:22nCCCNCCCCCCSCNCOCCCCCCC/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.06668
Area:480.949
Solvation:-2.95705
Coulombic:-25.9809
Bond Count [?]
All:24
Single:15
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:306.383
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.93
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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