Chemical ID: 5802153

CCOc1cc(ccc1OCc2ccccc2)C(NC(=O)Cc3ccccc3)NC(=O)Cc4ccccc4
Chemical ID:
5802153
Name [?]:
N-[(4-benzyloxy-3-ethoxy-phenyl)-(2-phenylacetyl)amino-methyl]-2-phenyl-acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C(NC(=O)Cc3ccccc3)NC(=O)Cc4ccccc4
InChi [?]:
InChI=1/C32H32N2O4/c1-2-37-29-22-27(18-19-28(29)38-23-26-16-10-5-11-17-26)32(33-30(35)20-24-12-6-3-7-13-24)34-31(36)21-25-14-8-4-9-15-25/h3-19,22,32H,2,20-21,23H2,1H3,(H,33,35)(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,2,26,36,15,25,27,35,37,14,16,24,28,34,38,13,17,7,8,22,32,5,11,23,33,12,6,9,4,20,30,18,19,29,21,31,3,10/E:(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(20,21)(24,25)(30,31)(33,34)(35,36)/gE:(1,2)/rA:38nCCOCCCCCCOCCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s18;s29;d30;s30;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H32N2O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:11.8714
Area:815.325
Solvation:-8.51176
Coulombic:-58.147
Bond Count [?]
All:41
Single:27
Double:14
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:508.608
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.91
LogP (Chemaxon):5.67

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue