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Chemical ID: 5921200

CCC(=O)N(CCN1CCCCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3ccc(s3)C

Chemical ID:

5921200

Name [?]:

N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-[2-(1-piperidyl)ethyl]propanamide

SMILES [?]:

CCC(=O)N(CCN1CCCCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3ccc(s3)C

InChi [?]:

InChI=1/C25H34FN3O2S/c1-3-24(30)28(16-15-27-13-5-4-6-14-27)19-25(31)29(18-23-12-7-20(2)32-23)17-21-8-10-22(26)11-9-21/h7-12H,3-6,13-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,2,11,10,12,29,20,24,21,23,28,9,13,7,6,18,26,14,30,19,22,27,3,15,25,8,5,17,4,16,31/E:(5,6)(8,9)(10,11)(13,14)/rA:32nCCCONCCNCCCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s8s12;s5;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄FN₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6786
Area:	698.885
Solvation:	-4.79352
Coulombic:	-42.3411

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	459.621
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.63
LogP (Chemaxon):	3.06

Name Annotations

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

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