Chemical ID: 4807876

COc1cccc(c1)c2nc(on2)CCC(=O)Nc3ccc(cc3)Cl
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

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