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Chemical ID: 6009888
Chemical ID:
6009888
Name [?]:
3,5-dimethoxy-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CC2CCCO2)C(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C20H25N3O6/c1-13-7-18(22-29-13)21-19(24)12-23(11-15-5-4-6-28-15)20(25)14-8-16(26-2)10-17(9-14)27-3/h7-10,15H,4-6,11-12H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,29,15,14,16,3,25,21,23,12,10,2,20,13,24,22,4,8,18,7,5,11,9,19,26,28,17,6/E:(2,3)(8,9)(16,17)(26,27)/rA:29cCCCCNONCOCNCCCCCOCOCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.94578 |
Area: | 612.613 |
Solvation: | -8.36954 |
Coulombic: | -60.4382 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 403.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.77 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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