Chemical ID: 4512892

CCOC(=O)c1c(csc1NC(=O)c2ccccc2)c3ccccc3
Chemical ID:
4512892
Name [?]:
ethyl 2-benzamido-4-phenyl-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(csc1NC(=O)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C20H17NO3S/c1-2-24-20(23)17-16(14-9-5-3-6-10-14)13-25-19(17)21-18(22)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,23,17,22,24,16,18,21,25,15,19,8,20,14,7,6,12,10,4,11,13,5,3,9/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCOCOCCCSCNCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s7;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1112
Area:559.619
Solvation:-2.87926
Coulombic:-43.9359
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.42
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.99
LogP (Chemaxon):4.92

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Descriptor Annotations

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