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4-{[2-(1H-1,3-benzodiazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexan-1-ol

4-{[2-(1H-1,3-benzodiazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexan-1-ol

CAS: 1792999-26-8

Formula: C21H21N5O2

SMILES: OC1CCC(CC1)OC1=CC=CC2=CN=C(NC3=CC=C4NC=NC4=C3)N=C12

IUPAC: 4-({2-[(1H-1,3-benzodiazol-5-yl)amino]quinazolin-8-yl}oxy)cyclohexan-1-ol

InChI: InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)

Composition: C (67.18%), H (5.64%), N (18.65%), O (8.52%)

Molar Mass: 375.432

Atom Count: 49

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 375.169524936
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey FYWRWBSYRGSWIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.29
Topological Polar Surface Area 95.95
Polarizability 42.73
Ring Count 5
Rotatable Bond Count 4

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