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Chemical ID: 5998801

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(cc3)C)c4ccccc4

Chemical ID:

5998801

Name [?]:

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

SMILES [?]:

CCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(cc3)C)c4ccccc4

InChi [?]:

InChI=1/C26H32N4O3/c1-3-15-27-23(31)18-29-19-30(22-7-5-4-6-8-22)26(25(29)33)13-16-28(17-14-26)24(32)21-11-9-20(2)10-12-21/h4-12H,3,13-19H2,1-2H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,27,2,31,30,32,29,33,23,25,22,26,14,18,3,15,17,7,9,24,21,28,5,19,12,11,4,16,8,10,6,20,13/E:(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:33cCCCNCOCNCNCCOCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;s15;s16;s11s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;s10;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6824
Area:	679.324
Solvation:	-4.30067
Coulombic:	-64.2215

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	448.557
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.52
LogP (Chemaxon):	2.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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