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Chemical ID: 5999222

CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(c(c3)Cl)Cl)c4ccccc4

Chemical ID:

5999222

Name [?]:

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

CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(c(c3)Cl)Cl)c4ccccc4

InChi [?]:

InChI=1/C23H25Cl2N5O3/c1-26-20(31)14-29-15-30(17-5-3-2-4-6-17)23(21(29)32)9-11-28(12-10-23)22(33)27-16-7-8-18(24)19(25)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,26,31)(H,27,33)

InChi Info:

AuxInfo=1/1/N:1,31,30,32,29,33,21,22,12,16,13,15,25,5,7,20,28,23,24,3,10,17,9,27,26,2,19,14,6,8,4,11,18/E:(3,4)(5,6)(9,10)(11,12)/rA:33cCNCOCNCNCCOCCNCCCONCCCCCCClClCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s6s9;d10;s9;s12;s13;s14;s9s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s23;s8;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅Cl₂N₅O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7734
Area:	690.521
Solvation:	-4.48965
Coulombic:	-75.8696

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	490.382
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.03
LogP (Chemaxon):	3.03

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