Chemical ID: 4936408

CN1CN(C2(C1=O)CCNCC2)c3ccccc3
Chemical ID:
4936408
Name [?]:
3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CN1CN(C2(C1=O)CCNCC2)c3ccccc3
InChi [?]:
InChI=1/C14H19N3O/c1-16-11-17(12-5-3-2-4-6-12)14(13(16)18)7-9-15-10-8-14/h2-6,15H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,8,12,9,11,3,13,6,5,10,2,4,7/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCNCNCCOCCNCCCCCCCC/rB:s1;s2;s3;s4;s2s5;d6;s5;s8;s9;s10;s5s11;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.63156
Area:399.293
Solvation:-2.35078
Coulombic:-33.5399
Bond Count [?]
All:20
Single:16
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:245.32
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):1.27

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Descriptor Annotations

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