5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C17H21N3O3S

SMILES: CN1C(=S)N(C)C(=O)C(=CC2=CC=C(O2)N2CCCCCC2)C1=O

IUPAC: 5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C17H21N3O3S/c1-18-15(21)13(16(22)19(2)17(18)24)11-12-7-8-14(23-12)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10H2,1-2H3

Composition: C (58.77%), H (6.09%), N (12.09%), O (13.81%), S (9.23%)

Molar Mass: 347.43

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	347.130362722
Formal Charge	0
FSP3	0.47
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VTBXTOVUJVGTSP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.72
Topological Polar Surface Area	57
Polarizability	36.45
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H21N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00