(4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-10-yl}pyridin-3-yl)methyl acetate

(4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-10-yl}pyridin-3-yl)methyl acetate

CAS: 1434051-95-2

Formula: C20H22ClN3O3

SMILES: CC(=O)OCC1=C(Cl)C=CN=C1N1CCN2C3=C(CC(C)(C)C3)C=C2C1=O

IUPAC: (4-chloro-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-10-yl}pyridin-3-yl)methyl acetate

InChI: InChI=1S/C20H22ClN3O3/c1-12(25)27-11-14-15(21)4-5-22-18(14)24-7-6-23-16(19(24)26)8-13-9-20(2,3)10-17(13)23/h4-5,8H,6-7,9-11H2,1-3H3

Composition: C (61.93%), H (5.72%), Cl (9.14%), N (10.83%), O (12.37%)

Molar Mass: 387.86

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	387.1349693
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GKQIRPRAPPONSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.14
Topological Polar Surface Area	64.43
Polarizability	39.24
Ring Count	4
Rotatable Bond Count	4

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97%	<5 Days	1434051-95-2		$349.30-$559.88$349.30$559.88