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Chemical ID: 5916829
Chemical ID:
5916829
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylcarbamoyl-(3-ethoxypropyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
InChi [?]:
InChI=1/C25H37N3O5S/c1-6-33-15-8-13-28(25(30)26(2)3)19-24(29)27(18-21-9-7-16-34-21)14-12-20-10-11-22(31-4)23(17-20)32-5/h7,9-11,16-17H,6,8,12-15,18-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,34,23,21,2,27,5,26,15,16,13,6,12,4,28,19,24,8,14,25,17,18,9,30,32,11,7,10,31,22,20,3,29/E:(2,3)/rA:34nCCOCCCNCCONCCCCCCCCOCOCCCCCCSCONCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;s24;d25;s26;d27;s25s28;s7;d30;s30;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H37N3O5S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6068 |
Area: | 769.437 |
Solvation: | -8.62916 |
Coulombic: | -64.5716 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 491.645 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.8 |
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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