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Chemical ID: 5306786
Chemical ID:
5306786
Name [?]:
7-phenyl-2-(tetrahydrofuran-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILES [?]:
c1ccc(cc1)C2Cc3c(cnc(n3)NCC4CCCO4)C(=O)C2
InChi [?]:
InChI=1/C19H21N3O2/c23-18-10-14(13-5-2-1-3-6-13)9-17-16(18)12-21-19(22-17)20-11-15-7-4-8-24-15/h1-3,5-6,12,14-15H,4,7-11H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,8,24,16,11,4,7,17,10,9,22,13,15,12,14,23,21/E:(2,3)(5,6)/rA:24cCCCCCCCCCCCNCNNCCCCCOCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s18;s19;s17s20;s10;d22;s7s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.38238 |
Area: | 537.896 |
Solvation: | -4.06502 |
Coulombic: | -39.0399 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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