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Chemical ID: 3935064

CC(C)(C)NC(=O)CN(Cc1ccc(cc1)F)C(=O)CNC(=O)c2cccs2

Chemical ID:

3935064

Name [?]:

N-[[(4-fluorophenyl)methyl-(tert-butylcarbamoylmethyl)carbamoyl]methyl]thiophene-2-carboxamide

SMILES [?]:

CC(C)(C)NC(=O)CN(Cc1ccc(cc1)F)C(=O)CNC(=O)c2cccs2

InChi [?]:

InChI=1/C20H24FN3O3S/c1-20(2,3)23-17(25)13-24(12-14-6-8-15(21)9-7-14)18(26)11-22-19(27)16-5-4-10-28-16/h4-10H,11-13H2,1-3H3,(H,22,27)(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,3,4,26,25,12,16,13,15,27,20,10,8,11,14,24,6,18,22,2,17,21,5,9,7,19,23,28/E:(1,2,3)(6,7)(8,9)/rA:28nCCCCNCOCNCCCCCCCFCOCNCOCCCCS/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;d18;s18;s20;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄FN₃O₃S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0702
Area:	635.328
Solvation:	-4.81296
Coulombic:	-64.0063

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	405.487
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.11
LogP (Chemaxon):	1.2

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

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

Chemical Mix	Source	External ID	Descriptor	Value