Chemical ID: 6002166

COc1cccc(c1)C(=O)N(CC(=O)Nc2ccon2)C3CCCCC3
Chemical ID:
6002166
Name [?]:
N-cyclohexyl-N-(isoxazol-3-ylcarbamoylmethyl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)N(CC(=O)Nc2ccon2)C3CCCCC3
InChi [?]:
InChI=1/C19H23N3O4/c1-25-16-9-5-6-14(12-16)19(24)22(15-7-3-2-4-8-15)13-18(23)20-17-10-11-26-21-17/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,5,6,22,26,4,17,18,8,12,7,21,3,16,13,9,15,20,11,14,10,2,19/E:(3,4)(7,8)/rA:26nCOCCCCCCCONCCONCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d16s19;s11;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.82935
Area:557.857
Solvation:-5.11706
Coulombic:-48.633
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.404
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.1
LogP (Chemaxon):2.81

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