Chemical ID: 6640251

c1ccc(cc1)COc2ccc(cc2)CC(C(=O)OCc3ccccc3)N
Chemical ID:
6640251
Name [?]:
benzyl 2-amino-3-(4-benzyloxyphenyl)-propanoate
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)CC(C(=O)OCc3ccccc3)N
InChi [?]:
InChI=1/C23H23NO3/c24-22(23(25)27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19/h1-14,22H,15-17,24H2
InChi Info:
AuxInfo=1/0/N:1,24,2,6,23,25,3,5,22,26,11,13,10,14,15,7,20,12,4,21,9,16,17,27,18,8,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27cCCCCCCCOCCCCCCCCCOOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.7328
Area:626.234
Solvation:-3.92305
Coulombic:-43.2438
Bond Count [?]
All:29
Single:19
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:361.434
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.44
LogP (Chemaxon):4.48

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Descriptor Annotations

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