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Chemical ID: 5085352
Chemical ID:
5085352
Name [?]:
N-[3-(5-ethylbenzooxazol-2-yl)phenyl]-4-isopropyl-benzamide
SMILES [?]:
CCc1ccc2c(c1)nc(o2)c3cccc(c3)NC(=O)c4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C25H24N2O2/c1-4-17-8-13-23-22(14-17)27-25(29-23)20-6-5-7-21(15-20)26-24(28)19-11-9-18(10-12-19)16(2)3/h5-16H,4H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,14,13,15,4,23,25,22,26,5,8,17,27,3,24,21,12,16,7,6,19,10,18,9,20,11/E:(2,3)(9,10)(11,12)/rA:29nCCCCCCCCNCOCCCCCCNCOCCCCCCCCC/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;s24;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.256 |
Area: | 634.452 |
Solvation: | -2.60531 |
Coulombic: | -39.4253 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.44 |
LogP (Chemaxon): | 7.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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