1-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methyl)-4-(diphenylmethyl)piperazine

1-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methyl)-4-(diphenylmethyl)piperazine

CAS: 866149-65-7

Formula: C28H28ClN3OS

SMILES: ClC1=NC=C(COC2=C(CN3CCN(CC3)C(C3=CC=CC=C3)C3=CC=CC=C3)C=CC=C2)S1

IUPAC: 1-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methyl)-4-(diphenylmethyl)piperazine

InChI: InChI=1S/C28H28ClN3OS/c29-28-30-19-25(34-28)21-33-26-14-8-7-13-24(26)20-31-15-17-32(18-16-31)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,19,27H,15-18,20-21H2

Composition: C (68.63%), H (5.76%), Cl (7.23%), N (8.57%), O (3.26%), S (6.54%)

Molar Mass: 490.06

Atom Count: 62

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	489.1641614
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HZQFMLJUDJLREF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	140.64
Topological Polar Surface Area	28.6
Polarizability	54.76
Ring Count	5
Rotatable Bond Count	8

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