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Chemical ID: 6010123
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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