Chemical ID: 6280926

C=CCn1c2c(cc(cc2sc1=NC(=O)c3ccc4ccccc4c3)F)F
Chemical ID:
6280926
Name [?]:
N-(3-allyl-4,6-difluoro-benzothiazol-2-ylidene)naphthalene-2-carboxamide
SMILES [?]:
C=CCn1c2c(cc(cc2sc1=NC(=O)c3ccc4ccccc4c3)F)F
InChi [?]:
InChI=1/C21H14F2N2OS/c1-2-9-25-19-17(23)11-16(22)12-18(19)27-21(25)24-20(26)15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10-12H,1,9H2
InChi Info:
AuxInfo=1/0/N:1,2,21,22,20,23,18,17,3,25,7,9,19,24,16,8,6,10,5,14,12,26,27,13,4,15,11/rA:27nCCCNCCCCCCSCNCOCCCCCCCCCCFF/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s8;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14F2N2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2222
Area:534.724
Solvation:-3.14589
Coulombic:-34.4461
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:380.412
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.05
LogP (Chemaxon):6.64

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Descriptor Annotations

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