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Chemical ID: 6023852

CC(C)(C)CC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3

Chemical ID:

6023852

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-3,3-dimethyl-N-(tetrahydrofuran-2-ylmethyl)butanamide

SMILES [?]:

CC(C)(C)CC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3

InChi [?]:

InChI=1/C25H33FN2O3S/c1-25(2,3)14-23(29)28(16-21-6-4-12-31-21)18-24(30)27(17-22-7-5-13-32-22)15-19-8-10-20(26)11-9-19/h5,7-11,13,21H,4,6,12,14-18H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,12,30,11,29,21,25,22,24,13,31,5,19,9,27,15,20,23,10,28,6,16,2,26,18,8,7,17,14,32/E:(1,2,3)(8,9)(10,11)/rA:32cCCCCCCONCCCCCOCCONCCCCCCCFCCCCCS/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s10s13;s8;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₃FN₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7412
Area:	674.209
Solvation:	-5.11407
Coulombic:	-46.5637

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	460.606
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.1
LogP (Chemaxon):	3.76

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