Chemical ID: 6271957

CCCCCOc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)C)CCOCC
Chemical ID:
6271957
Name [?]:
N-[3-(2-ethoxyethyl)-6-methyl-benzothiazol-2-ylidene]-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)C)CCOCC
InChi [?]:
InChI=1/C24H30N2O3S/c1-4-6-7-15-29-20-11-9-19(10-12-20)23(27)25-24-26(14-16-28-5-2)21-13-8-18(3)17-22(21)30-24/h8-13,17H,4-7,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,25,2,29,3,4,20,9,11,8,12,19,26,5,27,22,21,10,7,18,23,13,16,15,17,14,28,6,24/E:(9,10)(11,12)/rA:30nCCCCCOCCCCCCCONCNCCCCCCSCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;s17;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.2959
Area:683.202
Solvation:-3.78412
Coulombic:-42.2592
Bond Count [?]
All:32
Single:24
Double:8
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:426.573
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.35
LogP (Chemaxon):6.62

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Descriptor Annotations

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