Chemical ID: 6283874

CCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4cc3OC)Br
Chemical ID:
6283874
Name [?]:
N-(6-bromo-3-ethyl-benzothiazol-2-ylidene)-3-methoxy-naphthalene-2-carboxamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4cc3OC)Br
InChi [?]:
InChI=1/C21H17BrN2O2S/c1-3-24-17-9-8-15(22)12-19(17)27-21(24)23-20(25)16-10-13-6-4-5-7-14(13)11-18(16)26-2/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,19,20,18,21,6,5,16,23,8,17,22,7,15,4,24,9,13,11,27,12,3,14,25,10/rA:27nCCNCCCCCCSCNCOCCCCCCCCCCOCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;s19;d20;s17s21;d22;d15s23;s24;s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8611
Area:568.138
Solvation:-3.34233
Coulombic:-32.4334
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:441.342
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.25
LogP (Chemaxon):6.51

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Descriptor Annotations

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