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

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

Formula: C29H29NO4

SMILES: CCCC1=CC=C(OC(=O)C(CC2=CC=CC=C2)N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C=C1

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

InChI: InChI=1/C29H29NO4/c1-2-6-17-9-11-19(12-10-17)34-29(33)24(15-18-7-4-3-5-8-18)30-27(31)25-20-13-14-21(23-16-22(20)23)26(25)28(30)32/h3-5,7-14,20-26H,2,6,15-16H2,1H3

Composition: C (76.46%), H (6.42%), N (3.07%), O (14.05%)

Molar Mass: 455.554

Atom Count: 63

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	7
Exact Mass	455.209658418
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XKXBJHKSGAGINR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	128.82
Topological Polar Surface Area	63.68
Polarizability	50.02
Ring Count	6
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H29NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00