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Chemical ID: 5999255

CCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3C)c4ccccc4

Chemical ID:

5999255

Name [?]:

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

CCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccccc3C)c4ccccc4

InChi [?]:

InChI=1/C25H31N5O3/c1-3-26-22(31)17-29-18-30(20-10-5-4-6-11-20)25(23(29)32)13-15-28(16-14-25)24(33)27-21-12-8-7-9-19(21)2/h4-12H,3,13-18H2,1-2H3,(H,26,31)(H,27,33)

InChi Info:

AuxInfo=1/1/N:1,27,2,31,30,32,24,23,25,29,33,22,13,17,14,16,6,8,26,28,21,4,11,18,10,3,20,15,7,9,5,12,19/E:(5,6)(10,11)(13,14)(15,16)/rA:33cCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s9;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.357
Area:	671.174
Solvation:	-4.42238
Coulombic:	-75.9995

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:	2.44
LogP (Chemaxon):	2.15

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