Chemical ID: 5306786

c1ccc(cc1)C2Cc3c(cnc(n3)NCC4CCCO4)C(=O)C2
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

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Descriptor Annotations

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