Chemical ID: 6910190

Cc1ccc(cc1)C(=O)Nc2c(c(cs2)c3ccc(c(c3)C)C)C(=O)OC
Chemical ID:
6910190
Name [?]:
methyl 4-(3,4-dimethylphenyl)-2-(4-methylbenzoyl)amino-thiophene-3-carboxylate
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2c(c(cs2)c3ccc(c(c3)C)C)C(=O)OC
InChi [?]:
InChI=1/C22H21NO3S/c1-13-5-8-16(9-6-13)20(24)23-21-19(22(25)26-4)18(12-27-21)17-10-7-14(2)15(3)11-17/h5-12H,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,27,3,7,18,4,6,17,21,14,2,19,20,5,16,13,12,8,11,24,10,9,25,26,15/E:(5,6)(8,9)/rA:27nCCCCCCCCONCCCCSCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s19;s12;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO3S
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.932
Area:599.166
Solvation:-3.04718
Coulombic:-42.8762
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.473
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.87
LogP (Chemaxon):5.98

Name Annotations

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Descriptor Annotations

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