Chemical ID: 5938657

Cc1ccccc1C(=O)Nc2ccc(cc2)c3csc(n3)N(C)c4ccccc4
Chemical ID:
5938657
Name [?]:
2-methyl-N-[4-[2-(methyl-phenyl-amino)thiazol-4-yl]phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ccc(cc2)c3csc(n3)N(C)c4ccccc4
InChi [?]:
InChI=1/C24H21N3OS/c1-17-8-6-7-11-21(17)23(28)25-19-14-12-18(13-15-19)22-16-29-24(26-22)27(2)20-9-4-3-5-10-20/h3-16H,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,23,27,26,28,4,5,3,25,29,6,13,15,12,16,18,2,14,11,24,7,17,8,20,10,21,22,9,19/E:(4,5)(9,10)(12,13)(14,15)/rA:29nCCCCCCCCONCCCCCCCCSCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s18;s19;s17d20;s20;s22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.048
Area:630.671
Solvation:-2.71875
Coulombic:-37.3773
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:399.509
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.04
LogP (Chemaxon):6.41

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Descriptor Annotations

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