Chemical ID: 6364796

CCOC(=O)c1c(csc1NC(=O)c2ccc(cc2)C(C)C)c3ccc(cc3)C
Chemical ID:
6364796
Name [?]:
ethyl 2-(4-isopropylbenzoyl)amino-4-(p-tolyl)thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(csc1NC(=O)c2ccc(cc2)C(C)C)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H25NO3S/c1-5-28-24(27)21-20(18-8-6-16(4)7-9-18)14-29-23(21)25-22(26)19-12-10-17(11-13-19)15(2)3/h6-15H,5H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,21,22,29,2,25,27,24,28,16,18,15,19,8,20,26,17,23,14,7,6,12,10,4,11,13,5,3,9/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:29nCCOCOCCCSCNCOCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s20;s7;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3709
Area:650.781
Solvation:-2.89867
Coulombic:-44.0821
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.526
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.83
LogP (Chemaxon):6.58

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Descriptor Annotations

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