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Chemical ID: 6023858

c1ccc(cc1)CCC(=O)N(CC2CCCO2)CC(=O)N(Cc3ccc(cc3)F)Cc4cccs4

Chemical ID:

6023858

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide

SMILES [?]:

c1ccc(cc1)CCC(=O)N(CC2CCCO2)CC(=O)N(Cc3ccc(cc3)F)Cc4cccs4

InChi [?]:

InChI=1/C28H31FN2O3S/c29-24-13-10-23(11-14-24)18-30(20-26-9-5-17-35-26)28(33)21-31(19-25-8-4-16-34-25)27(32)15-12-22-6-2-1-3-7-22/h1-3,5-7,9-11,13-14,17,25H,4,8,12,15-16,18-21H2

InChi Info:

AuxInfo=1/0/N:1,2,6,15,33,3,5,14,32,24,28,7,25,27,8,16,34,22,12,30,18,4,23,26,13,31,9,19,29,21,11,10,20,17,35/E:(2,3)(6,7)(10,11)(13,14)/rA:35cCCCCCCCCCONCCCCCOCCONCCCCCCCFCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s11;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₁FN₂O₃S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5371
Area:	746.628
Solvation:	-6.12859
Coulombic:	-46.8118

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	494.622
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.86
LogP (Chemaxon):	4.21

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