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Chemical ID: 6005321
Chemical ID:
6005321
Name [?]:
N-(3-ethoxypropyl)-2,6-dimethoxy-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1cc(on1)C)C(=O)c2c(cccc2OC)OC
InChi [?]:
InChI=1/C20H27N3O6/c1-5-28-11-7-10-23(13-18(24)21-17-12-14(2)29-22-17)20(25)19-15(26-3)8-6-9-16(19)27-4/h6,8-9,12H,5,7,10-11,13H2,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,27,29,2,23,5,24,22,6,4,13,8,14,25,21,12,9,20,18,11,16,7,10,19,26,28,3,15/E:(3,4)(8,9)(15,16)(26,27)/rA:29nCCOCCCNCCONCCCONCCOCCCCCCOCOC/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;s25;s26;s21;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50305 |
Area: | 640.399 |
Solvation: | -8.50692 |
Coulombic: | -61.8523 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 405.445 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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