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Chemical ID: 5998362

CCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)COc3ccc(cc3)Cl)c4ccccc4

Chemical ID:

5998362

Name [?]:

2-[8-[2-(4-chlorophenoxy)acetyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-ethyl-acetamide

SMILES [?]:

CCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)COc3ccc(cc3)Cl)c4ccccc4

InChi [?]:

InChI=1/C25H29ClN4O4/c1-2-27-22(31)16-29-18-30(20-6-4-3-5-7-20)25(24(29)33)12-14-28(15-13-25)23(32)17-34-21-10-8-19(26)9-11-21/h3-11H,2,12-18H2,1H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,2,32,31,33,30,34,24,26,23,27,13,17,14,16,6,20,8,25,29,22,4,18,11,10,28,3,15,7,9,5,19,12,21/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCCNCOCNCNCCOCCNCCCOCOCCCCCCClCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s9;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉ClN₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	11.3409
Area:	715.683
Solvation:	-6.5512
Coulombic:	-69.3049

Bond Count [?]

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

Chemical Properties

Molecular Weight:	484.975
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.03
LogP (Chemaxon):	2.22

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