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Chemical ID: 6024376

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

Chemical ID:

6024376

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-butanamide

SMILES [?]:

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

InChi [?]:

InChI=1/C22H29FN2O2S/c1-5-6-21(26)25(16(2)3)15-22(27)24(14-20-17(4)11-12-28-20)13-18-7-9-19(23)10-8-18/h7-12,16H,5-6,13-15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,27,28,25,2,3,13,17,14,16,22,23,11,19,7,26,21,12,15,20,4,8,18,10,6,5,9,24/E:(2,3)(7,8)(9,10)/rA:28nCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;d20;s21;d22;s20s23;s21;s6;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉FN₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.733
Area:	608.141
Solvation:	-4.4705
Coulombic:	-37.6779

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	404.542
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.66
LogP (Chemaxon):	3.99

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

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

Chemical Mix	Source	External ID	Descriptor	Value