Chemical ID: 5517596

c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
Chemical ID:
5517596
Name [?]:
3-phenethyl-1,2,4,6,7,8-hexahydroquinazolin-5-one
SMILES [?]:
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
InChi [?]:
InChI=1/C16H20N2O/c19-16-8-4-7-15-14(16)11-18(12-17-15)10-9-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,7,8,10,19,4,11,12,16,18,9,17/E:(2,3)(5,6)/rA:19cCCCCCCCCNCCCCCCCONC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;s13;s14;s11s15;d16;s12;s9s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.77208
Area:452.734
Solvation:-2.54627
Coulombic:-24.5713
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:256.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.66
LogP (Chemaxon):2.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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