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Chemical ID: 5512711

CC1CN(CC(O1)C)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4cccc(c4Cl)Cl

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

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value