Chemical ID: 5615401

c1cc(cc(c1)Br)OCCN2C(=O)C3(CCCC3)NC2=O
Chemical ID:
5615401
Name [?]:
2-[2-(3-bromophenoxy)ethyl]-2,4-diazaspiro[4.4]nonane-1,3-dione
SMILES [?]:
c1cc(cc(c1)Br)OCCN2C(=O)C3(CCCC3)NC2=O
InChi [?]:
InChI=1/C15H17BrN2O3/c16-11-4-3-5-12(10-11)21-9-8-18-13(19)15(17-14(18)20)6-1-2-7-15/h3-5,10H,1-2,6-9H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:16,17,1,6,2,15,18,10,9,4,5,3,12,20,14,7,19,11,13,21,8/E:(1,2)(6,7)/rA:21nCCCCCCBrOCCNCOCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;d12;s12;s14;s15;s16;s14s17;s14;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.86693
Area:490.92
Solvation:-3.40606
Coulombic:-47.8785
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:353.211
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.36
LogP (Chemaxon):2.48

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