Chemical ID: 4507520

CC(C)C1=C2CCCCC2NC(=O)N1
Chemical ID:
4507520
Name [?]:
4-isopropyl-3,5,6,7,8,8a-hexahydro-1H-quinazolin-2-one
SMILES [?]:
CC(C)C1=C2CCCCC2NC(=O)N1
InChi [?]:
InChI=1/C11H18N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7,9H,3-6H2,1-2H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,6,9,2,5,10,4,12,11,14,13/E:(1,2)/rA:14cCCCCCCCCCCNCON/rB:s1;s2;s2;d4;s5;s6;s7;s8;s5s9;s10;s11;d12;s4s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.57128
Area:357.027
Solvation:-1.3544
Coulombic:-34.8528
Bond Count [?]
All:15
Single:13
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.273
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.22
LogP (Chemaxon):0.76

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Descriptor Annotations

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