4-(2H-1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide

4-(2H-1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Formula: C21H25N3O2S

SMILES: CC1=C(C)C(NC(=S)N2CCN(CC3=CC=C4OCOC4=C3)CC2)=CC=C1

IUPAC: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide

InChI: InChI=1S/C21H25N3O2S/c1-15-4-3-5-18(16(15)2)22-21(27)24-10-8-23(9-11-24)13-17-6-7-19-20(12-17)26-14-25-19/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,27)

Composition: C (65.77%), H (6.57%), N (10.96%), O (8.34%), S (8.36%)

Molar Mass: 383.51

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	383.166748231
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ICRMOLQZTVKSSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.89
Topological Polar Surface Area	36.97
Polarizability	43.47
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00