1-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-(3,4,5-triethoxybenzoyl)thiourea

1-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-(3,4,5-triethoxybenzoyl)thiourea

Formula: C31H36N4O5S

SMILES: CCOC1=CC(=CC(OCC)=C1OCC)C(=O)NC(=S)NC1=CC=CC=C1N1CCN(CC1)C(=O)C1=CC=CC=C1

IUPAC: 1-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-(3,4,5-triethoxybenzoyl)thiourea

InChI: InChI=1S/C31H36N4O5S/c1-4-38-26-20-23(21-27(39-5-2)28(26)40-6-3)29(36)33-31(41)32-24-14-10-11-15-25(24)34-16-18-35(19-17-34)30(37)22-12-8-7-9-13-22/h7-15,20-21H,4-6,16-19H2,1-3H3,(H2,32,33,36,41)

Composition: C (64.56%), H (6.29%), N (9.72%), O (13.87%), S (5.56%)

Molar Mass: 576.71

Atom Count: 77

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	576.240641449
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	GXLHKNOKWAPKGB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	166.88
Topological Polar Surface Area	92.37
Polarizability	62.45
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H36N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00