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Chemical ID: 5874520
Chemical ID:
5874520
Name [?]:
N-(3-morpholinopropyl)-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)CN(CCCN3CCOCC3)C(=O)c4ccco4
InChi [?]:
InChI=1/C25H28N2O4/c28-25(24-11-5-16-30-24)27(13-6-12-26-14-17-29-18-15-26)20-21-7-4-10-23(19-21)31-22-8-2-1-3-9-22/h1-5,7-11,16,19H,6,12-15,17-18,20H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,29,17,11,3,5,9,28,18,16,20,24,30,21,23,13,14,12,4,8,27,25,19,15,26,22,31,7/E:(2,3)(8,9)(14,15)(17,18)/rA:31nCCCCCCOCCCCCCCNCCCNCCOCCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;s15;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5925 |
Area: | 653.217 |
Solvation: | -4.7379 |
Coulombic: | -48.9155 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.03 |
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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