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Chemical ID: 6024774

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)c3ccc4ccccc4c3

Chemical ID:

6024774

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-sec-butyl-naphthalene-2-carboxamide

SMILES [?]:

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)c3ccc4ccccc4c3

InChi [?]:

InChI=1/C30H31FN2O2S/c1-4-22(3)33(30(35)26-12-11-24-7-5-6-8-25(24)17-26)20-29(34)32(19-28-21(2)15-16-36-28)18-23-9-13-27(31)14-10-23/h5-17,22H,4,18-20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,4,2,32,33,31,34,12,16,29,28,13,15,21,22,36,10,18,6,20,3,11,30,35,27,14,19,7,25,17,9,5,8,26,23/E:(9,10)(13,14)/rA:36cCCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCCCCC/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;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₁FN₂O₂S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	13.1775
Area:	699.415
Solvation:	-4.30785
Coulombic:	-41.9857

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	502.644
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.18
LogP (Chemaxon):	6.16

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