2-(3,4-dimethylphenyl)-2-oxoethyl 6-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}hexanoate

2-(3,4-dimethylphenyl)-2-oxoethyl 6-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}hexanoate

Formula: C27H31NO5

SMILES: CC1=CC=C(C=C1C)C(=O)COC(=O)CCCCCN1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: 2-(3,4-dimethylphenyl)-2-oxoethyl 6-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}hexanoate

InChI: InChI=1/C27H31NO5/c1-15-7-8-17(12-16(15)2)22(29)14-33-23(30)6-4-3-5-11-28-26(31)24-18-9-10-19(21-13-20(18)21)25(24)27(28)32/h7-10,12,18-21,24-25H,3-6,11,13-14H2,1-2H3

Composition: C (72.14%), H (6.95%), N (3.12%), O (17.79%)

Molar Mass: 449.547

Atom Count: 64

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	449.220223102
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KIVITEINDQYDED-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.33
Topological Polar Surface Area	80.75
Polarizability	47.8
Ring Count	5
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H31NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00