ethyl 5-[3-(benzoyloxy)phenyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

ethyl 5-[3-(benzoyloxy)phenyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

Formula: C25H23N3O5S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(OC(=O)C2=CC=CC=C2)=C1

IUPAC: ethyl 5-[3-(benzoyloxy)phenyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

InChI: InChI=1/C25H23N3O5S/c1-2-32-25(31)28-12-11-18-19(14-28)34-23-20(18)22(29)26-21(27-23)16-9-6-10-17(13-16)33-24(30)15-7-4-3-5-8-15/h3-10,13,21,27H,2,11-12,14H2,1H3,(H,26,29)

Composition: C (62.88%), H (4.85%), N (8.80%), O (16.75%), S (6.71%)

Molar Mass: 477.54

Atom Count: 57

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	477.135842027
Formal Charge	0
FSP3	0.24
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WYZKIRKNPUKSCV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.96
Topological Polar Surface Area	96.97
Polarizability	48.09
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00