Chemical ID: 7266939

Cc1ccc(s1)C(=O)NCC(=O)NCCc2ccc(c(c2)OC)OC
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

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Descriptor Annotations

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