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Chemical ID: 6024397

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)Cc3cccs3

Chemical ID:

6024397

Name [?]:

N-[(4-fluorophenyl)methyl]-2-[isopropyl-[2-(2-thienyl)acetyl]-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)Cc3cccs3

InChi [?]:

InChI=1/C24H27FN2O2S2/c1-17(2)27(23(28)13-21-5-4-11-30-21)16-24(29)26(15-22-18(3)10-12-31-22)14-19-6-8-20(25)9-7-19/h4-12,17H,13-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:22,23,1,29,28,11,15,12,14,3,30,4,26,9,7,19,21,2,10,13,27,6,24,17,16,8,20,25,18,31,5/E:(1,2)(6,7)(8,9)/rA:31nCCCCSCCNCCCCCCCFCOCNCCCCOCCCCCS/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;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇FN₂O₂S₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3794
Area:	658.184
Solvation:	-5.07516
Coulombic:	-37.9354

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	458.614
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.43
LogP (Chemaxon):	4.22

Name Annotations

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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