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Chemical ID: 6024988

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)Cc4ccc(cc4)F

Chemical ID:

6024988

Name [?]:

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

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)Cc4ccc(cc4)F

InChi [?]:

InChI=1/C28H30F2N2O3S/c1-20-12-14-36-26(20)18-31(16-22-6-10-24(30)11-7-22)28(34)19-32(17-25-3-2-13-35-25)27(33)15-21-4-8-23(29)9-5-21/h4-12,14,25H,2-3,13,15-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,31,35,11,15,32,34,12,14,3,25,4,29,9,21,7,19,2,30,10,33,13,22,6,27,17,36,16,8,20,28,18,26,5/E:(4,5)(6,7)(8,9)(10,11)/rA:36cCCCCSCCNCCCCCCCFCOCNCCCCCOCOCCCCCCCF/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s22s25;s20;d27;s27;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₀F₂N₂O₃S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	11.0693
Area:	723.227
Solvation:	-7.0114
Coulombic:	-49.6471

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	512.612
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.0
LogP (Chemaxon):	4.42

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