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

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

Formula: C18H19N3O4S

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

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

InChI: InChI=1/C18H19N3O4S/c1-2-25-18(24)21-7-6-12-13(9-21)26-17-14(12)16(23)19-15(20-17)10-4-3-5-11(22)8-10/h3-5,8,15,20,22H,2,6-7,9H2,1H3,(H,19,23)

Composition: C (57.90%), H (5.13%), N (11.25%), O (17.14%), S (8.59%)

Molar Mass: 373.43

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	373.109627278
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	BFZBOODATNFHIB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.13
Topological Polar Surface Area	90.9
Polarizability	36.58
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H19N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00