Chemical ID: 5335260

c1cc(ccc1Cc2ccc(cc2)NC(=O)c3ccc(s3)Cl)NC(=O)c4ccc(s4)Cl
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

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Experimental Annotations

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Descriptor Annotations

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