Chemical ID: 5721174

CCN(c1nc2c(cccc2s1)C)C(=O)c3cccc(c3)Oc4ccccc4
Chemical ID:
5721174
Name [?]:
N-ethyl-N-(4-methylbenzothiazol-2-yl)-3-phenoxy-benzamide
SMILES [?]:
CCN(c1nc2c(cccc2s1)C)C(=O)c3cccc(c3)Oc4ccccc4
InChi [?]:
InChI=1/C23H20N2O2S/c1-3-25(23-24-21-16(2)9-7-14-20(21)28-23)22(26)17-10-8-13-19(15-17)27-18-11-5-4-6-12-18/h4-15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,26,25,27,9,18,8,17,24,28,19,10,21,7,16,23,20,11,6,14,4,5,3,15,22,12/E:(5,6)(11,12)/rA:28nCCNCNCCCCCCSCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s7;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3838
Area:584.25
Solvation:-3.22246
Coulombic:-33.6149
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.483
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.17
LogP (Chemaxon):6.15

Name Annotations

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Descriptor Annotations

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