Chemical ID: 6010123

COc1cc(cc(c1)OC)C(=O)N(CC2CCCO2)CC(=O)Nc3ccon3
Chemical ID:
6010123
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-3,5-dimethoxy-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)N(CC2CCCO2)CC(=O)Nc3ccon3
InChi [?]:
InChI=1/C19H23N3O6/c1-25-15-8-13(9-16(10-15)26-2)19(24)22(11-14-4-3-6-27-14)12-18(23)20-17-5-7-28-21-17/h5,7-10,14H,3-4,6,11-12H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,25,18,26,4,6,8,14,20,5,15,3,7,24,21,11,23,28,13,22,12,2,9,19,27/E:(1,2)(8,9)(15,16)(25,26)/rA:28cCOCCCCCCOCCONCCCCCOCCONCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;s16;s17;s15s18;s13;s20;d21;s21;s23;s24;d25;s26;d24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.34908
Area:592.74
Solvation:-7.46943
Coulombic:-61.6537
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.403
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.54
LogP (Chemaxon):1.2

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Descriptor Annotations

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