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Chemical ID: 6008502

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3F)c4ccccc4

Chemical ID:

6008502

Name [?]:

3-(diethylcarbamoylmethyl)-N,N-bis[3-(diethylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

CCN(CC)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3F)c4ccccc4

InChi [?]:

InChI=1/C26H32FN5O3/c1-3-29(4-2)23(33)18-31-19-32(20-10-6-5-7-11-20)26(24(31)34)14-16-30(17-15-26)25(35)28-22-13-9-8-12-21(22)27/h5-13H,3-4,14-19H2,1-2H3,(H,28,35)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,33,32,34,26,25,31,35,27,24,15,19,16,18,8,10,30,28,23,6,13,20,12,29,22,3,17,9,11,7,14,21/E:(1,2)(3,4)(6,7)(10,11)(14,15)(16,17)/rA:35cCCNCCCOCNCNCCOCCNCCCONCCCCCCFCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s11;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂FN₅O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4939
Area:	695.568
Solvation:	-4.89528
Coulombic:	-75.7749

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	481.563
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.94
LogP (Chemaxon):	2.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value