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Chemical ID: 5938657
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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