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Chemical ID: 5999326

CCC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3C)c4ccccc4

Chemical ID:

5999326

Name [?]:

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

SMILES [?]:

CCC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3C)c4ccccc4

InChi [?]:

InChI=1/C27H35N5O3/c1-4-21(3)28-24(33)18-31-19-32(22-11-6-5-7-12-22)27(25(31)34)14-16-30(17-15-27)26(35)29-23-13-9-8-10-20(23)2/h5-13,21H,4,14-19H2,1-3H3,(H,28,33)(H,29,35)

InChi Info:

AuxInfo=1/1/N:1,29,4,2,33,32,34,26,25,27,31,35,24,15,19,16,18,8,10,28,3,30,23,6,13,20,12,5,22,17,9,11,7,14,21/E:(6,7)(11,12)(14,15)(16,17)/rA:35cCCCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCCC/rB:s1;s2;s3;s3;s5;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:	C₂₇H₃₅N₅O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	13.4894
Area:	714.139
Solvation:	-4.36407
Coulombic:	-76.5021

Bond Count [?]

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

Chemical Properties

Molecular Weight:	477.599
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.26
LogP (Chemaxon):	3.03

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value