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Chemical ID: 4807876
Chemical ID:
4807876
Name [?]:
N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)CCC(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H16ClN3O3/c1-24-15-4-2-3-12(11-15)18-21-17(25-22-18)10-9-16(23)20-14-7-5-13(19)6-8-14/h2-8,11H,9-10H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,21,23,20,24,15,14,8,7,22,19,3,16,11,9,25,18,10,13,17,2,12/E:(5,6)(7,8)/rA:25nCOCCCCCCCNCONCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6397 |
Area: | 588.836 |
Solvation: | -4.08122 |
Coulombic: | -38.9593 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.791 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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