ChemDB: Chemical Search
Download
Chemical ID: 5335260
Chemical ID:
5335260
Name [?]:
5-chloro-N-[4-[[4-[(5-chloro-2-thienyl)carbonylamino]phenyl]methyl]phenyl]-thiophene-2-carboxamide
SMILES [?]:
c1cc(ccc1Cc2ccc(cc2)NC(=O)c3ccc(s3)Cl)NC(=O)c4ccc(s4)Cl
InChi [?]:
InChI=1/C23H16Cl2N2O2S2/c24-20-11-9-18(30-20)22(28)26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-23(29)19-10-12-21(25)31-19/h1-12H,13H2,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,5,9,13,2,4,10,12,27,18,28,19,7,6,8,3,11,26,17,29,20,24,15,31,22,23,14,25,16,30,21/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/gE:(1,2)/rA:31nCCCCCCCCCCCCCNCOCCCCSClNCOCCCCSCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;d17;s18;d19;s17s20;s20;s3;s23;d24;s24;d26;s27;d28;s26s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16Cl2N2O2S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.2065 |
Area: | 732.612 |
Solvation: | -3.10882 |
Coulombic: | -46.8606 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 487.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 5.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|