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Chemical ID: 5999343

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)NC4CCCCC4)CC(=O)Nc5ccc(cc5)F

Chemical ID:

5999343

Name [?]:

2-[(4-fluorophenyl)carbamoylmethyl]-N,N-bis[2-[(4-fluorophenyl)carbamoylmethyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-9-yl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)NC4CCCCC4)CC(=O)Nc5ccc(cc5)F

InChi [?]:

InChI=1/C28H34FN5O3/c29-21-11-13-23(14-12-21)30-25(35)19-33-20-34(24-9-5-2-6-10-24)28(26(33)36)15-17-32(18-16-28)27(37)31-22-7-3-1-4-8-22/h2,5-6,9-14,22H,1,3-4,7-8,15-20H2,(H,30,35)(H,31,37)

InChi Info:

AuxInfo=1/1/N:24,1,23,25,2,6,22,26,3,5,33,35,32,36,13,17,14,16,27,8,34,21,31,4,28,10,18,12,37,30,20,15,9,7,29,11,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:37cCCCCCCNCNCOCCCNCCCONCCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;s23;s24;s21s25;s9;s27;d28;s28;s30;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₄FN₅O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3622
Area:	729.673
Solvation:	-5.87964
Coulombic:	-78.9126

Bond Count [?]

All:	41
Single:	32
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	507.6
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.78
LogP (Chemaxon):	3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value