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Chemical ID: 4278225
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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