Chemical ID: 5437518

CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)CC
Chemical ID:
5437518
Name [?]:
N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)CC
InChi [?]:
InChI=1/C22H24N2O2S/c1-3-13-26-19-11-9-18(10-12-19)21(25)24-22-23-15-20(27-22)14-17-7-5-16(4-2)6-8-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,22,24,21,25,7,9,6,10,3,19,16,23,20,8,5,17,11,14,15,13,12,4,18/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0086
Area:642.849
Solvation:-4.06265
Coulombic:-35.9817
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.504
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):5.47

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Descriptor Annotations

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