Chemical ID: 4343913

c1ccc(cc1)CN(Cc2ccccc2)CC(COc3ccc4ccccc4c3)O
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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Descriptor Annotations

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