Chemical ID: 4361662

CCc1ccc2c(c1)nc(o2)c3ccc(c(c3)NC(=O)c4ccccc4)C
Chemical ID:
4361662
Name [?]:
N-[5-(5-ethylbenzooxazol-2-yl)-2-methyl-phenyl]benzamide
SMILES [?]:
CCc1ccc2c(c1)nc(o2)c3ccc(c(c3)NC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C23H20N2O2/c1-3-16-10-12-21-20(13-16)25-23(27-21)18-11-9-15(2)19(14-18)24-22(26)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,24,23,25,22,26,14,4,13,5,8,17,15,3,21,12,16,7,6,19,10,18,9,20,11/E:(5,6)(7,8)/rA:27nCCCCCCCCNCOCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.1314
Area:589.343
Solvation:-2.60222
Coulombic:-38.9028
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.417
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):5.75

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Descriptor Annotations

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