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Chemical ID: 4567088
Chemical ID:
4567088
Name [?]:
N-(2-furylmethyl)-N-[2-[2-isopropyl-4-(2-methoxyphenyl)-tetrahydropyran-4-yl]ethyl]acetamide
SMILES [?]:
CC(C)C1CC(CCO1)(CCN(Cc2ccco2)C(=O)C)c3ccccc3OC
InChi [?]:
InChI=1/C24H33NO4/c1-18(2)23-16-24(12-15-29-23,21-9-5-6-10-22(21)27-4)11-13-25(19(3)26)17-20-8-7-14-28-20/h5-10,14,18,23H,11-13,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,29,24,25,16,15,23,26,10,7,11,17,8,5,13,2,19,14,22,27,4,6,12,20,28,18,9/E:(1,2)/rA:29cCCCCCCCCOCCNCCCCCOCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s6;s10;s11;s12;s13;d14;s15;d16;s14s17;s12;d19;s19;s6;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.12071 |
Area: | 596.644 |
Solvation: | -5.7954 |
Coulombic: | -38.6024 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.523 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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