3-[(Z)-{[(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

3-[(Z)-{[(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

Formula: C27H25ClN2O5

SMILES: CC(C)(C)C1=CC2=C(OCC(O2)C(=O)NN=C/C2=CC=CC(OC(=O)C3=CC=CC=C3Cl)=C2)C=C1

IUPAC: 3-[(Z)-{[(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

InChI: InChI=1/C27H25ClN2O5/c1-27(2,3)18-11-12-22-23(14-18)35-24(16-33-22)25(31)30-29-15-17-7-6-8-19(13-17)34-26(32)20-9-4-5-10-21(20)28/h4-15,24H,16H2,1-3H3,(H,30,31)/b29-15-

Composition: C (65.79%), H (5.11%), Cl (7.19%), N (5.68%), O (16.23%)

Molar Mass: 492.96

Atom Count: 60

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	492.1451996
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LATXTMYUKODGOA-FDVSRXAVNA-N
Lipinski's Rule of Five
Molar Refractivity	133.04
Topological Polar Surface Area	86.22
Polarizability	51.18
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00