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Chemical ID: 6012626
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.
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Experimental Annotations
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Descriptor Annotations
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