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Chemical ID: 6023470

CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3

Chemical ID:

6023470

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-2-methyl-N-(2-morpholinoethyl)propanamide

SMILES [?]:

CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3

InChi [?]:

InChI=1/C24H32FN3O3S/c1-19(2)24(30)27(10-9-26-11-13-31-14-12-26)18-23(29)28(17-22-4-3-15-32-22)16-20-5-7-21(25)8-6-20/h3-8,15,19H,9-14,16-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,30,29,21,25,22,24,8,7,10,14,11,13,31,19,27,15,2,20,23,28,16,4,26,9,6,18,17,5,12,32/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:32nCCCCONCCNCCOCCCCONCCCCCCCFCCCCCS/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂FN₃O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7121
Area:	674.268
Solvation:	-6.14458
Coulombic:	-50.6186

Bond Count [?]

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

Chemical Properties

Molecular Weight:	461.594
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	1.81
LogP (Chemaxon):	2.57

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

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Chemical Mix	Source	External ID	Descriptor	Value