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Chemical ID: 6033516

Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)Nc3ccc(cc3)F)C4CC4

Chemical ID:

6033516

Name [?]:

N-cyclopropyl-N-[[4-[(4-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)Nc3ccc(cc3)F)C4CC4

InChi [?]:

InChI=1/C24H23FN4O3S/c1-15-2-4-16(5-3-15)23(32)29(20-10-11-20)13-22(31)28-24-27-19(14-33-24)12-21(30)26-18-8-6-17(25)7-9-18/h2-9,14,20H,10-13H2,1H3,(H,26,30)(H,27,28,31)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,26,28,25,29,32,33,20,11,18,2,5,27,24,17,31,21,12,8,15,30,23,16,14,10,22,13,9,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCCCCCONCCONCNCCSCCONCCCCCCFCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s10;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃FN₄O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.838
Area:	691.47
Solvation:	-6.44871
Coulombic:	-64.9887

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	466.529
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.13
LogP (Chemaxon):	4.11

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