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Chemical ID: 4563451
Chemical ID:
4563451
Name [?]:
N-(2-furylmethyl)-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-propyl]-acetamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CCN(Cc2ccco2)C(=O)C)c3ccccc3OC
InChi [?]:
InChI=1/C26H31NO4/c1-19(2)31-22-13-11-21(12-14-22)24(25-9-5-6-10-26(25)29-4)15-16-27(20(3)28)18-23-8-7-17-30-23/h5-14,17,19,24H,15-16,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,23,31,26,27,18,17,25,28,7,9,6,10,12,13,19,15,2,21,8,5,16,11,24,29,14,22,30,20,4/E:(1,2)(11,12)(13,14)/rA:31cCCCOCCCCCCCCCNCCCCCOCOCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;s16s19;s14;d21;s21;s11;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1179 |
Area: | 669.753 |
Solvation: | -5.62596 |
Coulombic: | -39.3034 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 421.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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