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Chemical ID: 5512711
Chemical ID:
5512711
Name [?]:
N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILES [?]:
CC1CN(CC(O1)C)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4cccc(c4Cl)Cl
InChi [?]:
InChI=1/C24H25Cl2N3O2S/c1-15-12-29(13-16(2)31-15)14-17-6-8-18(9-7-17)23(30)28-24-27-11-20(32-24)10-19-4-3-5-21(25)22(19)26/h3-9,11,15-16H,10,12-14H2,1-2H3,(H,27,28,30)
InChi Info:
AuxInfo=1/1/N:1,8,27,26,28,11,15,12,14,24,21,3,5,9,2,6,10,13,25,22,29,30,16,19,32,31,20,18,4,17,7,23/E:(1,2)(6,7)(8,9)(12,13)(15,16)/rA:32cCCCNCCOCCCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25Cl2N3O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.0501 |
Area: | 720.739 |
Solvation: | -4.96833 |
Coulombic: | -41.8008 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 490.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.46 |
LogP (Chemaxon): | 5.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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