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Chemical ID: 4558460
Chemical ID:
4558460
Name [?]:
N-[3-(2,2-dimethyltetrahydropyran-4-yl)-3-(2-methoxyphenyl)-propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILES [?]:
CC1(CC(CCO1)C(CCN(Cc2ccc(cc2)OC)C(=O)c3ccco3)c4ccccc4OC)C
InChi [?]:
InChI=1/C30H37NO5/c1-30(2)20-23(16-19-36-30)25(26-8-5-6-9-27(26)34-4)15-17-31(29(32)28-10-7-18-35-28)21-22-11-13-24(33-3)14-12-22/h5-14,18,23,25H,15-17,19-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,20,35,30,31,25,29,32,24,14,18,15,17,9,5,10,26,6,3,12,13,4,16,8,28,33,23,21,2,11,22,19,34,27,7/E:(1,2)(11,12)(13,14)/rA:36cCCCCCCOCCCNCCCCCCCOCCOCCCCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s11;d21;s21;d23;s24;d25;s23s26;s8;s28;d29;s30;d31;d28s32;s33;s34;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H37NO5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.9615 |
Area: | 735.158 |
Solvation: | -6.41747 |
Coulombic: | -51.0162 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 491.619 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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