Chemical ID: 6267209

CCCCCOc1cccc(c1)C(=O)N=c2n(c3c(cccc3s2)OCC)CC
Chemical ID:
6267209
Name [?]:
N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-3-pentoxy-benzamide
SMILES [?]:
CCCCCOc1cccc(c1)C(=O)N=c2n(c3c(cccc3s2)OCC)CC
InChi [?]:
InChI=1/C23H28N2O3S/c1-4-7-8-15-28-18-12-9-11-17(16-18)22(26)24-23-25(5-2)21-19(27-6-3)13-10-14-20(21)29-23/h9-14,16H,4-8,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,27,2,28,26,3,4,9,21,10,8,20,22,5,12,11,7,19,23,18,13,16,15,17,14,25,6,24/rA:29nCCCCCOCCCCCCCONCNCCCCCCSOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;w15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s19;s25;s26;s17;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5213
Area:646.252
Solvation:-3.63501
Coulombic:-41.3848
Bond Count [?]
All:31
Single:23
Double:8
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:412.546
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.44
LogP (Chemaxon):6.4

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