5-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-1,3-diazinane-2,4,6-trione

5-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-1,3-diazinane-2,4,6-trione

Formula: C18H21N5O4

SMILES: O=C(N1CCN(CCNC=C2C(=O)NC(=O)NC2=O)CC1)C1=CC=CC=C1

IUPAC: 5-({[2-(4-benzoylpiperazin-1-yl)ethyl]amino}methylidene)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C18H21N5O4/c24-15-14(16(25)21-18(27)20-15)12-19-6-7-22-8-10-23(11-9-22)17(26)13-4-2-1-3-5-13/h1-5,12,19H,6-11H2,(H2,20,21,24,25,27)

Composition: C (58.21%), H (5.70%), N (18.86%), O (17.23%)

Molar Mass: 371.397

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	371.159354176
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	XYELICXIDBZGQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.77
Topological Polar Surface Area	110.85
Polarizability	36.95
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N5O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00