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Chemical ID: 5085303
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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