Chemical ID: 6005298

CCOCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)Br
Chemical ID:
6005298
Name [?]:
4-bromo-N-(3-ethoxypropyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C18H22BrN3O4/c1-3-25-10-4-9-22(18(24)14-5-7-15(19)8-6-14)12-17(23)20-16-11-13(2)26-21-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,5,21,25,22,24,6,4,13,8,14,20,23,12,9,18,26,11,16,7,10,19,3,15/E:(5,6)(7,8)/rA:26nCCOCCCNCCONCCCONCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22BrN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.97743
Area:615.517
Solvation:-5.4105
Coulombic:-49.0859
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.289
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.98
LogP (Chemaxon):2.51

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