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Chemical ID: 5940480
Chemical ID:
5940480
Name [?]:
N-[3-[2-(5-chloro-2-methyl-phenyl)aminothiazol-4-yl]phenyl]-2,2-diphenyl-acetamide
SMILES [?]:
Cc1ccc(cc1Nc2nc(cs2)c3cccc(c3)NC(=O)C(c4ccccc4)c5ccccc5)Cl
InChi [?]:
InChI=1/C30H24ClN3OS/c1-20-15-16-24(31)18-26(20)33-30-34-27(19-36-30)23-13-8-14-25(17-23)32-29(35)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-19,28H,1H3,(H,32,35)(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,27,33,26,28,32,34,16,25,29,31,35,15,17,3,4,19,6,12,2,24,30,14,5,18,7,11,23,21,9,36,20,8,10,22,13/E:(2,3)(4,5,6,7)(9,10,11,12)(21,22)/rA:36nCCCCCCCNCNCCSCCCCCCNCOCCCCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s23;s30;d31;s32;d33;d30s34;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H24ClN3OS |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.5647 |
Area: | 760.494 |
Solvation: | -3.44765 |
Coulombic: | -43.0052 |
Bond Count [?]
All: | 40 |
Single: | 25 |
Double: | 15 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 510.05 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 7.37 |
LogP (Chemaxon): | 8.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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