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Chemical ID: 5999348

CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccccc4

Chemical ID:

5999348

Name [?]:

4-oxo-1-phenyl-3-(phenylcarbamoylmethyl)-N-tert-butyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccccc4

InChi [?]:

InChI=1/C26H33N5O3/c1-25(2,3)28-24(34)29-16-14-26(15-17-29)23(33)30(19-31(26)21-12-8-5-9-13-21)18-22(32)27-20-10-6-4-7-11-20/h4-13H,14-19H2,1-3H3,(H,27,32)(H,28,34)

InChi Info:

AuxInfo=1/1/N:1,3,4,32,22,31,33,21,23,30,34,20,24,10,12,9,13,25,17,29,19,26,14,6,2,11,28,5,8,16,18,27,15,7/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34cCCCCNCONCCCCCCONCNCCCCCCCCONCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₅O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3769
Area:	690.723
Solvation:	-4.89119
Coulombic:	-75.5697

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.572
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.09
LogP (Chemaxon):	2.83

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