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Chemical ID: 7266939
Chemical ID:
7266939
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethylcarbamoylmethyl]-5-methyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)C(=O)NCC(=O)NCCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H22N2O4S/c1-12-4-7-16(25-12)18(22)20-11-17(21)19-9-8-13-5-6-14(23-2)15(10-13)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,3,17,18,4,15,14,21,10,2,16,19,20,5,11,7,13,9,12,8,24,22,6/rA:25nCCCCCSCONCCONCCCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O4S |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12547 |
Area: | 616.76 |
Solvation: | -6.29353 |
Coulombic: | -57.6319 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 362.444 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.91 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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