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Chemical ID: 4755435
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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