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Chemical ID: 5998009

CC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(c(c3)Cl)Cl)c4ccccc4

Chemical ID:

5998009

Name [?]:

2-[8-(3,4-dichlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-isopropyl-acetamide

SMILES [?]:

CC(C)NC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(c(c3)Cl)Cl)c4ccccc4

InChi [?]:

InChI=1/C25H28Cl2N4O3/c1-17(2)28-22(32)15-30-16-31(19-6-4-3-5-7-19)25(24(30)34)10-12-29(13-11-25)23(33)18-8-9-20(26)21(27)14-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,3,32,31,33,30,34,22,23,14,18,15,17,26,7,9,2,21,29,24,25,5,19,12,11,28,27,4,16,8,10,6,20,13/E:(1,2)(4,5)(6,7)(10,11)(12,13)/rA:34cCCCNCOCNCNCCOCCNCCCOCCCCCCClClCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s8s11;d12;s11;s14;s15;s16;s11s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;s10;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈Cl₂N₄O₃
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5423
Area:	715.111
Solvation:	-4.33549
Coulombic:	-63.9742

Bond Count [?]

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

Chemical Properties

Molecular Weight:	503.42
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.43
LogP (Chemaxon):	3.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value