perospirone

perospirone

CAS: 150915-41-6

Formula: C23H30N4O2S

SMILES: [H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O

IUPAC: (3aR,7aS)-2-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl}-octahydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+

Composition: C (64.76%), H (7.09%), N (13.13%), O (7.50%), S (7.52%)

Molar Mass: 426.58

Atom Count: 60

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	426.208947396
Formal Charge	0
FSP3	0.61
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	FBVFZWUMDDXLLG-HDICACEKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.29
Topological Polar Surface Area	56.75
Polarizability	46.84
Ring Count	5
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.43%	<7 Days	150915-41-6		$72.00-$740.52$72.00$123.42$431.97$740.52