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Chemical ID: 5932650
Chemical ID:
5932650
Name [?]:
[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-2-furyl]-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone
SMILES [?]:
COc1ccc(cc1OC)CN(Cc2ccccc2)Cc3ccc(o3)C(=O)N4CCC5(CC4)OCCO5
InChi [?]:
InChI=1/C29H34N2O6/c1-33-25-10-8-23(18-27(25)34-2)20-30(19-22-6-4-3-5-7-22)21-24-9-11-26(37-24)28(32)31-14-12-29(13-15-31)35-16-17-36-29/h3-11,18H,12-17,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,16,18,15,19,5,22,4,23,30,32,29,33,35,36,7,13,11,20,14,6,21,3,24,8,26,31,12,28,27,2,9,34,37,25/E:(4,5)(6,7)(12,13)(14,15)(16,17)(35,36)/rA:37cCOCCCCCCOCCNCCCCCCCCCCCCOCONCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;s21s24;s24;d26;s26;s28;s29;s30;s31;s28s32;s31;s34;s35;s31s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34N2O6 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.81048 |
Area: | 742.156 |
Solvation: | -8.74341 |
Coulombic: | -63.3449 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 506.59 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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