Chemical ID: 6493317

CCN(CC)c1ccc(cc1)c2nc3ccccc3s2
Chemical ID:
6493317
Name [?]:
4-benzothiazol-2-yl-N,N-diethyl-aniline
SMILES [?]:
CCN(CC)c1ccc(cc1)c2nc3ccccc3s2
InChi [?]:
InChI=1/C17H18N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)20-17/h5-12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,16,17,15,18,8,10,7,11,9,6,14,19,12,13,3,20/E:(1,2)(3,4)(9,10)(11,12)/rA:20nCCNCCCCCCCCCNCCCCCCS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;d15;s16;d17;d14s18;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.8086
Area:486.385
Solvation:-1.35107
Coulombic:-15.0646
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.404
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.52
LogP (Chemaxon):5.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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