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Chemical ID: 6008019

CC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3)c4ccccc4

Chemical ID:

6008019

Name [?]:

3-(isopropylcarbamoylmethyl)-N,N-bis[3-(isopropylcarbamoylmethyl)-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)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C25H31N5O3/c1-19(2)26-22(31)17-29-18-30(21-11-7-4-8-12-21)25(23(29)32)13-15-28(16-14-25)24(33)27-20-9-5-3-6-10-20/h3-12,19H,13-18H2,1-2H3,(H,26,31)(H,27,33)

InChi Info:

AuxInfo=1/1/N:1,3,25,31,24,26,30,32,23,27,29,33,14,18,15,17,7,9,2,22,28,5,12,19,11,4,21,16,8,10,6,13,20/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33cCCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;s15;s16;s11s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s10;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁N₅O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3938
Area:	674.397
Solvation:	-4.46615
Coulombic:	-76.1472

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	449.546
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.67
LogP (Chemaxon):	2.75

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