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Chemical ID: 5917343
Chemical ID:
5917343
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylcarbamoyl-isopropyl-amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCNC(=O)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(C)C
InChi [?]:
InChI=1/C23H33N3O4S/c1-6-24-23(28)26(17(2)3)16-22(27)25(15-19-8-7-13-31-19)12-11-18-9-10-20(29-4)21(14-18)30-5/h7-10,13-14,17H,6,11-12,15-16H2,1-5H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,30,31,22,20,2,26,25,14,15,12,11,27,18,23,7,29,13,24,16,17,8,4,3,10,6,9,5,21,19,28/E:(2,3)/rA:31nCCNCONCCONCCCCCCCCOCOCCCCCCSCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s25;d26;s24s27;s6;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N3O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.133 |
Area: | 684.222 |
Solvation: | -6.97258 |
Coulombic: | -61.6445 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 447.592 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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