Chemical ID: 4755435

Cc1ccc(cc1)C(COC2=NCNc3c2ccc(c3)Cl)O
Chemical ID:
4755435
Name [?]:
2-[(7-chloro-1,2-dihydroquinazolin-4-yl)oxy]-1-(p-tolyl)ethanol
SMILES [?]:
Cc1ccc(cc1)C(COC2=NCNc3c2ccc(c3)Cl)O
InChi [?]:
InChI=1/C17H17ClN2O2/c1-11-2-4-12(5-3-11)16(21)9-22-17-14-7-6-13(18)8-15(14)19-10-20-17/h2-8,16,19,21H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,18,17,20,9,13,2,5,19,16,15,8,11,21,14,12,22,10/E:(2,3)(4,5)/rA:22cCCCCCCCCCOCNCNCCCCCCClO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;s13;s14;s11s15;d16;s17;d18;d15s19;s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.70561
Area:525.902
Solvation:-3.44193
Coulombic:-45.4039
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.782
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.9
LogP (Chemaxon):4.07

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Descriptor Annotations

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