Chemical ID: 6012626

CCOc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(CCCOC)C(=O)N(C)C
Chemical ID:
6012626
Name [?]:
2-(dimethylcarbamoyl-(3-methoxypropyl)amino)-N-[(4-ethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILES [?]:
CCOc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(CCCOC)C(=O)N(C)C
InChi [?]:
InChI=1/C28H38N4O4/c1-5-36-24-13-11-22(12-14-24)20-31(17-15-23-19-29-26-10-7-6-9-25(23)26)27(33)21-32(16-8-18-35-4)28(34)30(2)3/h6-7,9-14,19,29H,5,8,15-18,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,36,31,2,20,21,28,19,22,6,8,5,9,13,27,12,29,15,10,25,7,14,4,18,17,23,32,16,34,11,26,24,33,30,3/E:(2,3)(11,12)(13,14)/rA:36nCCOCCCCCCCNCCCCNCCCCCCCOCNCCCOCCONCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s11;d23;s23;s25;s26;s27;s28;s29;s30;s26;d32;s32;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H38N4O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.1037
Area:795.289
Solvation:-6.77851
Coulombic:-68.9939
Bond Count [?]
All:38
Single:29
Double:9
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:494.626
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.1
LogP (Chemaxon):3.04

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