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Chemical ID: 6008225

Cc1ccc(cc1C)NC(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)N(C)C)c4ccccc4

Chemical ID:

6008225

Name [?]:

3-[(3,4-dimethylphenyl)carbamoylmethyl]-N,N-bis[3-[(3,4-dimethylphenyl)carbamoylmethyl]-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 [?]:

Cc1ccc(cc1C)NC(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)N(C)C)c4ccccc4

InChi [?]:

InChI=1/C26H33N5O3/c1-19-10-11-21(16-20(19)2)27-23(32)17-30-18-31(22-8-6-5-7-9-22)26(24(30)33)12-14-29(15-13-26)25(34)28(3)4/h5-11,16H,12-15,17-18H2,1-4H3,(H,27,32)

InChi Info:

AuxInfo=1/1/N:1,8,27,28,32,31,33,30,34,3,4,19,23,20,22,6,12,14,2,7,5,29,10,17,24,16,9,26,21,13,15,11,18,25/E:(3,4)(6,7)(8,9)(12,13)(14,15)/rA:34cCCCCCCCCNCOCNCNCCOCCNCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s13s16;d17;s16;s19;s20;s21;s16s22;s21;d24;s24;s26;s26;s15;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.4963
Area:	683.665
Solvation:	-4.59531
Coulombic:	-70.7752

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.572
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.8
LogP (Chemaxon):	3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value