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Chemical ID: 5085340
Chemical ID:
5085340
Name [?]:
4-isopropyl-N-[2-methyl-5-(5-methylbenzooxazol-2-yl)-phenyl]-benzamide
SMILES [?]:
Cc1ccc2c(c1)nc(o2)c3ccc(c(c3)NC(=O)c4ccc(cc4)C(C)C)C
InChi [?]:
InChI=1/C25H24N2O2/c1-15(2)18-8-10-19(11-9-18)24(28)26-21-14-20(7-6-17(21)4)25-27-22-13-16(3)5-12-23(22)29-25/h5-15H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:27,28,1,29,3,13,12,22,24,21,25,4,7,16,26,2,14,23,20,11,15,6,5,18,9,17,8,19,10/E:(1,2)(8,9)(10,11)/rA:29nCCCCCCCNCOCCCCCCNCOCCCCCCCCCC/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;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0904 |
Area: | 628.126 |
Solvation: | -2.6128 |
Coulombic: | -38.9457 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.2 |
LogP (Chemaxon): | 6.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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