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Chemical ID: 6023749

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C3CCC3

Chemical ID:

6023749

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-sec-butyl-cyclobutanecarboxamide

SMILES [?]:

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C3CCC3

InChi [?]:

InChI=1/C23H29FN2O2S/c1-3-17(2)26(23(28)19-6-4-7-19)16-22(27)25(15-21-8-5-13-29-21)14-18-9-11-20(24)12-10-18/h5,8-13,17,19H,3-4,6-7,14-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,4,2,28,21,27,29,20,12,16,13,15,22,10,18,6,3,11,26,14,19,7,24,17,9,5,8,25,23/E:(6,7)(9,10)(11,12)/rA:29cCCCCNCCONCCCCCCCFCCCCCSCOCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;s27;s26s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉FN₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	11.3331
Area:	614.852
Solvation:	-4.03816
Coulombic:	-38.8796

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	416.553
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.83
LogP (Chemaxon):	4.05

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