3-phenyl-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxylic acid

3-phenyl-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxylic acid

CAS: 109650-67-1

Formula: C15H16N2O2

SMILES: OC(=O)C1=C2CCCCCN2C(=N1)C1=CC=CC=C1

IUPAC: 3-phenyl-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxylic acid

InChI: InChI=1S/C15H16N2O2/c18-15(19)13-12-9-5-2-6-10-17(12)14(16-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,19)

Composition: C (70.29%), H (6.29%), N (10.93%), O (12.48%)

Molar Mass: 256.305

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.121177763
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UOFZDTQOLKIQKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.04
Topological Polar Surface Area	55.12
Polarizability	28.06
Ring Count	3
Rotatable Bond Count	2

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90%	<2 Days	109650-67-1		$51.35-$86.31$51.35$63.37$86.31