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Chemical ID: 6024771

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)c3ccc(cc3)c4ccccc4

Chemical ID:

6024771

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-phenyl-N-sec-butyl-benzamide

SMILES [?]:

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C32H33FN2O2S/c1-4-24(3)35(32(37)28-14-12-27(13-15-28)26-8-6-5-7-9-26)22-31(36)34(21-30-23(2)18-19-38-30)20-25-10-16-29(33)17-11-25/h5-19,24H,4,20-22H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,4,2,36,35,37,34,38,12,16,29,31,28,32,13,15,21,22,10,18,6,20,3,11,33,30,27,14,19,7,25,17,9,5,8,26,23/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:38cCCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s20;s5;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₃FN₂O₂S
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	14.2961
Area:	744.475
Solvation:	-4.31579
Coulombic:	-42.9457

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	528.681
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.85
LogP (Chemaxon):	6.84

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value