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Chemical ID: 6176213
Chemical ID:
6176213
Name [?]:
N-[2-methyl-4-[3-methyl-4-(2-thienylcarbonylamino)phenyl]-phenyl]thiophene-3-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccsc2)c3ccc(c(c3)C)NC(=O)c4cccs4
InChi [?]:
InChI=1/C24H20N2O2S2/c1-15-12-17(5-7-20(15)25-23(27)19-9-11-29-14-19)18-6-8-21(16(2)13-18)26-24(28)22-4-3-10-30-22/h3-14H,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,22,28,27,5,17,6,18,12,29,13,3,21,15,2,20,4,16,11,7,19,26,9,24,8,23,10,25,14,30/rA:30nCCCCCCCNCOCCCSCCCCCCCCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d11s14;s4;s16;d17;s18;d19;d16s20;s20;s19;s23;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O2S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6829 |
Area: | 671.025 |
Solvation: | -3.09277 |
Coulombic: | -45.5848 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 432.56 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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