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Chemical ID: 4343913
Chemical ID:
4343913
Name [?]:
1-dibenzylamino-3-(2-naphthyloxy)propan-2-ol
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)CC(COc3ccc4ccccc4c3)O
InChi [?]:
InChI=1/C27H27NO2/c29-26(21-30-27-16-15-24-13-7-8-14-25(24)17-27)20-28(18-22-9-3-1-4-10-22)19-23-11-5-2-6-12-23/h1-17,26,29H,18-21H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,25,26,3,5,11,15,24,27,22,21,29,7,9,16,18,4,10,23,28,17,20,8,30,19/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)(22,23)/rA:30cCCCCCCCNCCCCCCCCCCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;s17;s18;s19;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H27NO2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.81 |
Area: | 652.894 |
Solvation: | -5.51233 |
Coulombic: | -33.2763 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 397.509 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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