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Chemical ID: 5997996

CC(C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)N(C)C)c3ccccc3

Chemical ID:

5997996

Name [?]:

3-(isobutylcarbamoylmethyl)-N,N-bis[3-(isobutylcarbamoylmethyl)-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 [?]:

CC(C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)N(C)C)c3ccccc3

InChi [?]:

InChI=1/C22H33N5O3/c1-17(2)14-23-19(28)15-26-16-27(18-8-6-5-7-9-18)22(20(26)29)10-12-25(13-11-22)21(30)24(3)4/h5-9,17H,10-16H2,1-4H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,3,23,24,28,27,29,26,30,15,19,16,18,4,8,10,2,25,6,13,20,12,5,22,17,9,11,7,14,21/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCNCOCNCNCCOCCNCCCONCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s22;s11;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₃N₅O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2703
Area:	629.677
Solvation:	-4.47162
Coulombic:	-71.1616

Bond Count [?]

All:	32
Single:	26
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	415.529
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	1.44
LogP (Chemaxon):	1.29

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