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tiapride hydrochloride

tiapride hydrochloride

CAS: 51012-33-0

Formula: C15H25ClN2O4S

SMILES: Cl[H].CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O

IUPAC: N-[2-(diethylamino)ethyl]-5-methanesulfonyl-2-methoxybenzamide hydrochloride

InChI: InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H

Composition: C (49.38%), H (6.91%), Cl (9.72%), N (7.68%), O (17.54%), S (8.79%)

Molar Mass: 364.89

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names tiapride hydrochloride
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 364.1223562
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey OTFDPNXIVHBTKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.02
Topological Polar Surface Area 75.71
Polarizability 34.26
Ring Count 1
Rotatable Bond Count 8

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