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Chemical ID: 7529780
Chemical ID:
7529780
Name [?]:
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
CC1CN(CC(O1)C)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccccc4F
InChi [?]:
InChI=1/C24H26FN3O2S/c1-16-13-28(14-17(2)30-16)15-18-7-9-19(10-8-18)23(29)27-24-26-12-21(31-24)11-20-5-3-4-6-22(20)25/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,8,27,28,26,29,11,15,12,14,24,21,3,5,9,2,6,10,13,25,22,30,16,19,31,20,18,4,17,7,23/E:(1,2)(7,8)(9,10)(13,14)(16,17)/rA:31cCCCNCCOCCCCCCCCCONCNCCSCCCCCCCF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26FN3O2S |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2648 |
Area: | 678.121 |
Solvation: | -5.68825 |
Coulombic: | -44.7015 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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