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Chemical ID: 6024426

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)c3cccc(c3)Cl

Chemical ID:

6024426

Name [?]:

3-chloro-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-benzamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)c3cccc(c3)Cl

InChi [?]:

InChI=1/C25H26ClFN2O2S/c1-17(2)29(25(31)20-5-4-6-21(26)13-20)16-24(30)28(15-23-18(3)11-12-32-23)14-19-7-9-22(27)10-8-19/h4-13,17H,14-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:22,23,1,28,27,29,11,15,12,14,3,4,31,9,7,19,21,2,10,26,30,13,6,17,24,32,16,8,20,18,25,5/E:(1,2)(7,8)(9,10)/rA:32nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆ClFN₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4395
Area:	625.556
Solvation:	-4.19936
Coulombic:	-40.6587

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	473.003
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.18
LogP (Chemaxon):	5.21

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