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Chemical ID: 7529780

CC1CN(CC(O1)C)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccccc4F

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value