Chemical ID: 5085303

Cc1ccc2c(c1)nc(o2)c3cccc(c3)NC(=O)c4ccc(cc4)C(C)C
Chemical ID:
5085303
Name [?]:
4-isopropyl-N-[3-(5-methylbenzooxazol-2-yl)phenyl]-benzamide
SMILES [?]:
Cc1ccc2c(c1)nc(o2)c3cccc(c3)NC(=O)c4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C24H22N2O2/c1-15(2)17-8-10-18(11-9-17)23(27)25-20-6-4-5-19(14-20)24-26-21-13-16(3)7-12-22(21)28-24/h4-15H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:27,28,1,13,12,14,3,22,24,21,25,4,7,16,26,2,23,20,11,15,6,5,18,9,17,8,19,10/E:(1,2)(8,9)(10,11)/rA:28nCCCCCCCNCOCCCCCCNCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.6644
Area:611.483
Solvation:-2.62268
Coulombic:-39.0663
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.444
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.97
LogP (Chemaxon):6.73

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Descriptor Annotations

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