2,3-dimethylphenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-3-phenylpropanoate

2,3-dimethylphenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-3-phenylpropanoate

Formula: C28H27NO4

SMILES: CC1=C(C)C(OC(=O)C(CC2=CC=CC=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)=CC=C1

IUPAC: 2,3-dimethylphenyl 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}-3-phenylpropanoate

InChI: InChI=1/C28H27NO4/c1-15-7-6-10-23(16(15)2)33-28(32)22(13-17-8-4-3-5-9-17)29-26(30)24-18-11-12-19(21-14-20(18)21)25(24)27(29)31/h3-12,18-22,24-25H,13-14H2,1-2H3

Composition: C (76.17%), H (6.16%), N (3.17%), O (14.49%)

Molar Mass: 441.527

Atom Count: 60

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	7
Exact Mass	441.194008353
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ARPHJUDYPUBJMP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.66
Topological Polar Surface Area	63.68
Polarizability	48.1
Ring Count	6
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00