Chemical ID: 4278225

c1cc(sc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc(cc3)NC(=O)c4cccs4
Chemical ID:
4278225
Name [?]:
N-[4-[[4-(2-thienylcarbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc(cc3)NC(=O)c4cccs4
InChi [?]:
InChI=1/C23H17N3O3S2/c27-21(15-5-7-16(8-6-15)25-22(28)19-3-1-13-30-19)24-17-9-11-18(12-10-17)26-23(29)20-4-2-14-31-20/h1-14H,(H,24,27)(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,11,13,10,14,19,23,20,22,5,30,12,9,18,21,3,27,15,6,25,17,8,24,16,7,26,4,31/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCSCCONCCCCCCCONCCCCCCNCOCCCCS/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17N3O3S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.568
Area:690.297
Solvation:-3.68941
Coulombic:-66.5465
Bond Count [?]
All:34
Single:21
Double:13
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.531
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.56
LogP (Chemaxon):4.05

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Descriptor Annotations

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