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Chemical ID: 5998234

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4cccc5c4cccc5)CC(=O)N6CCCCC6

Chemical ID:

5998234

Name [?]:

8-(1-naphthylcarbonyl)-4-phenyl-2-(1-piperidylcarbonylmethyl)-2,4,8-triazaspiro[4.5]decan-1-one

SMILES [?]:

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4cccc5c4cccc5)CC(=O)N6CCCCC6

InChi [?]:

InChI=1/C31H34N4O3/c36-28(32-18-7-2-8-19-32)22-34-23-35(25-12-3-1-4-13-25)31(30(34)38)16-20-33(21-17-31)29(37)27-15-9-11-24-10-5-6-14-26(24)27/h1,3-6,9-15H,2,7-8,16-23H2

InChi Info:

AuxInfo=1/0/N:1,36,2,6,28,27,35,37,22,29,23,3,5,26,21,13,17,34,38,14,16,30,8,24,4,25,20,31,18,10,12,33,15,9,7,32,19,11/E:(3,4)(7,8)(12,13)(16,17)(18,19)(20,21)/rA:38cCCCCCCNCNCOCCCNCCCOCCCCCCCCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;s9;s30;d31;s31;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₄N₄O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	13.1636
Area:	725.263
Solvation:	-4.96802
Coulombic:	-59.879

Bond Count [?]

All:	43
Single:	32
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	510.627
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.57
LogP (Chemaxon):	3.56

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value