Chemical ID: 6851685

CCOc1ccc(cc1)c2c(sc(c2C(=O)OC)NC(=O)c3ccccc3OCC)C
Chemical ID:
6851685
Name [?]:
methyl 2-(2-ethoxybenzoyl)amino-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(c2C(=O)OC)NC(=O)c3ccccc3OCC)C
InChi [?]:
InChI=1/C24H25NO5S/c1-5-29-17-13-11-16(12-14-17)20-15(3)31-23(21(20)24(27)28-4)25-22(26)18-9-7-8-10-19(18)30-6-2/h7-14H,5-6H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,30,31,18,2,29,24,25,23,26,6,8,5,9,11,7,4,22,27,10,14,20,13,15,19,21,16,17,3,28,12/E:(11,12)(13,14)/rA:31nCCOCCCCCCCCSCCCOOCNCOCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s14;d15;s15;s17;s13;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s29;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO5S
All Atoms:56
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.6936
Area:675.883
Solvation:-6.20344
Coulombic:-55.517
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.525
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.09
LogP (Chemaxon):4.75

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Descriptor Annotations

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