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Chemical ID: 6024560

CCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C3CC3

Chemical ID:

6024560

Name [?]:

N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]pentanamide

SMILES [?]:

CCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C3CC3

InChi [?]:

InChI=1/C23H29FN2O2S/c1-3-4-5-22(27)26(20-10-11-20)16-23(28)25(15-21-17(2)12-13-29-21)14-18-6-8-19(24)9-7-18/h6-9,12-13,20H,3-5,10-11,14-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,2,3,4,14,18,15,17,28,29,23,24,12,20,8,22,13,16,27,21,5,9,19,11,7,6,10,25/E:(6,7)(8,9)(10,11)/rA:29nCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s22;s7;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉FN₂O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2914
Area:	628.83
Solvation:	-4.42938
Coulombic:	-37.7957

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	416.553
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.89
LogP (Chemaxon):	4.02

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