Chemical ID: 5522385

c1ccc(cc1)COCC(CNCCNCC(COCc2ccccc2)O)O
Chemical ID:
5522385
Name [?]:
1-benzyloxy-3-[2-(3-benzyloxy-2-hydroxy-propyl)aminoethylamino]propan-2-ol
SMILES [?]:
c1ccc(cc1)COCC(CNCCNCC(COCc2ccccc2)O)O
InChi [?]:
InChI=1/C22H32N2O4/c25-21(17-27-15-19-7-3-1-4-8-19)13-23-11-12-24-14-22(26)18-28-16-20-9-5-2-6-10-20/h1-10,21-26H,11-18H2
InChi Info:
AuxInfo=1/0/N:1,24,2,6,23,25,3,5,22,26,13,14,11,16,7,20,9,18,4,21,10,17,12,15,28,27,8,19/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28cCCCCCCCOCCCNCCNCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:8.37911
Area:709.789
Solvation:-9.36562
Coulombic:-67.4857
Bond Count [?]
All:29
Single:23
Double:6
Rotors:15
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:388.501
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.13
LogP (Chemaxon):1.89

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Descriptor Annotations

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