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Chemical ID: 5998812

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C(CC)c3ccccc3)c4ccccc4

Chemical ID:

5998812

Name [?]:

2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-N-propyl-acetamide

SMILES [?]:

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C(CC)c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C28H36N4O3/c1-3-17-29-25(33)20-31-21-32(23-13-9-6-10-14-23)28(27(31)35)15-18-30(19-16-28)26(34)24(4-2)22-11-7-5-8-12-22/h5-14,24H,3-4,15-21H2,1-2H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,23,2,22,27,33,26,28,32,34,25,29,31,35,14,18,3,15,17,7,9,24,30,21,5,19,12,11,4,16,8,10,6,20,13/E:(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)/rA:35cCCCNCOCNCNCCOCCNCCCOCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;s15;s16;s11s17;s16;d19;s19;s21;s22;s21;s24;d25;s26;d27;d24s28;s10;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₆N₄O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	13.2279
Area:	712.156
Solvation:	-4.57603
Coulombic:	-63.8959

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	476.611
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.67
LogP (Chemaxon):	3.47

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