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Chemical ID: 6110250
Chemical ID:
6110250
Name [?]:
1-isopropyl-7-methyl-4-phenyl-quinazolin-2-one
SMILES [?]:
Cc1ccc2c(c1)n(c(=O)nc2c3ccccc3)C(C)C
InChi [?]:
InChI=1/C18H18N2O/c1-12(2)20-16-11-13(3)9-10-15(16)17(19-18(20)21)14-7-5-4-6-8-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:20,21,1,16,15,17,14,18,3,4,7,19,2,13,5,6,12,9,11,8,10/E:(1,2)(5,6)(7,8)/rA:21nCCCCCCCNCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5d11;s12;s13;d14;s15;d16;d13s17;s8;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0933 |
Area: | 464.699 |
Solvation: | -1.52424 |
Coulombic: | -27.9978 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 278.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.86 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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