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

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

Formula: C27H25NO4

SMILES: CCCC1=CC=C(OC(=O)C2=CC=C(C=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

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

InChI: InChI=1/C27H25NO4/c1-2-3-15-4-10-18(11-5-15)32-27(31)16-6-8-17(9-7-16)28-25(29)23-19-12-13-20(22-14-21(19)22)24(23)26(28)30/h4-13,19-24H,2-3,14H2,1H3

Composition: C (75.86%), H (5.89%), N (3.28%), O (14.97%)

Molar Mass: 427.5

Atom Count: 57

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	427.178358289
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GZBMSJGLBGTBNB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.66
Topological Polar Surface Area	63.68
Polarizability	46.29
Ring Count	6
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00