cromakalim

cromakalim

CAS: 94470-67-4

Formula: C16H18N2O3

SMILES: CC1(C)OC2=CC=C(C=C2[C@@H]([C@H]1O)N1CCCC1=O)C#N

IUPAC: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile

InChI: InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m0/s1

Composition: C (67.12%), H (6.34%), N (9.78%), O (16.76%)

Molar Mass: 286.331

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	cromakalim
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	286.131742448
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	TVZCRIROJQEVOT-LSDHHAIUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.67
Topological Polar Surface Area	73.56
Polarizability	29.79
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.39%	<7 Days	94470-67-4		$63.58-$635.80$63.58$102.85$224.40$374.00$635.80