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Chemical ID: 3927708

Cc1csc(n1)NC(=O)CCC(=O)N(Cc2ccc(cc2)F)CC(=O)NC3CCCCC3

Chemical ID:

3927708

Name [?]:

N'-(cyclohexylcarbamoylmethyl)-N'-[(4-fluorophenyl)methyl]-N-(4-methylthiazol-2-yl)-butanediamide

SMILES [?]:

Cc1csc(n1)NC(=O)CCC(=O)N(Cc2ccc(cc2)F)CC(=O)NC3CCCCC3

InChi [?]:

InChI=1/C23H29FN4O3S/c1-16-15-32-23(25-16)27-20(29)11-12-22(31)28(13-17-7-9-18(24)10-8-17)14-21(30)26-19-5-3-2-4-6-19/h7-10,15,19H,2-6,11-14H2,1H3,(H,26,30)(H,25,27,29)

InChi Info:

AuxInfo=1/1/N:1,30,29,31,28,32,17,21,18,20,10,11,15,23,3,2,16,19,27,8,24,12,5,22,6,26,7,14,9,25,13,4/E:(3,4)(5,6)(7,8)(9,10)/rA:32nCCCSCNNCOCCCONCCCCCCCFCCONCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s24;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉FN₄O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9851
Area:	707.008
Solvation:	-5.6901
Coulombic:	-65.1627

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	460.566
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.57
LogP (Chemaxon):	2.65

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