ethyl 4-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

ethyl 4-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

Formula: C18H17N3O3S2

SMILES: CCOC(=O)C1=CC=C(NC(=O)CSC2=NC3=CC=C(N)C=C3S2)C=C1

IUPAC: ethyl 4-{2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate

InChI: InChI=1S/C18H17N3O3S2/c1-2-24-17(23)11-3-6-13(7-4-11)20-16(22)10-25-18-21-14-8-5-12(19)9-15(14)26-18/h3-9H,2,10,19H2,1H3,(H,20,22)

Composition: C (55.80%), H (4.42%), N (10.84%), O (12.39%), S (16.55%)

Molar Mass: 387.47

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	387.071133767
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HUOFCFKXPMHPJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.34
Topological Polar Surface Area	94.31
Polarizability	40.56
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17N3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00