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Chemical ID: 3926253

Cc1ccc(cc1)N(C(c2ccc(cc2)F)C(=O)NC3CCCC3)C(=O)CNC(=O)c4ccco4

Chemical ID:

3926253

Name [?]:

N-[[[cyclopentylcarbamoyl-(4-fluorophenyl)-methyl]-(p-tolyl)carbamoyl]methyl]furan-2-carboxamide

SMILES [?]:

Cc1ccc(cc1)N(C(c2ccc(cc2)F)C(=O)NC3CCCC3)C(=O)CNC(=O)c4ccco4

InChi [?]:

InChI=1/C27H28FN3O4/c1-18-8-14-22(15-9-18)31(24(32)17-29-26(33)23-7-4-16-35-23)25(19-10-12-20(28)13-11-19)27(34)30-21-5-2-3-6-21/h4,7-16,21,25H,2-3,5-6,17H2,1H3,(H,29,33)(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,22,23,33,21,24,32,3,7,11,15,12,14,4,6,34,27,2,10,13,20,5,31,25,9,29,17,16,28,19,8,26,30,18,35/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:35cCCCCCCCNCCCCCCCFCONCCCCCCOCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s9;d17;s17;s19;s20;s21;s22;s20s23;s8;d25;s25;s27;s28;d29;s29;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈FN₃O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1644
Area:	702.256
Solvation:	-5.39198
Coulombic:	-73.5862

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	477.527
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.61
LogP (Chemaxon):	3.43

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