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Chemical ID: 3952725
Chemical ID:
3952725
Name [?]:
N-(4-oxo-2-phenyl-quinazolin-3-yl)cyclobutanecarboxamide
SMILES [?]:
c1ccc(cc1)c2nc3ccccc3c(=O)n2NC(=O)C4CCC4
InChi [?]:
InChI=1/C19H17N3O2/c23-18(14-9-6-10-14)21-22-17(13-7-2-1-3-8-13)20-16-12-5-4-11-15(16)19(22)24/h1-5,7-8,11-12,14H,6,9-10H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,23,3,5,22,24,13,10,4,21,14,9,7,19,15,8,18,17,20,16/E:(2,3)(7,8)(9,10)/rA:24nCCCCCCCNCCCCCCCONNCOCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s7s15;s17;s18;d19;s19;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47695 |
Area: | 501.609 |
Solvation: | -3.06328 |
Coulombic: | -39.6491 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 319.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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