2,4-dimethyl 3-{2-[4-(pyridin-2-yl)piperazin-1-yl]acetyl}-1,3-thiazolidine-2,4-dicarboxylate

2,4-dimethyl 3-{2-[4-(pyridin-2-yl)piperazin-1-yl]acetyl}-1,3-thiazolidine-2,4-dicarboxylate

CAS: 318951-84-7

Formula: C18H24N4O5S

SMILES: COC(=O)C1CSC(N1C(=O)CN1CCN(CC1)C1=NC=CC=C1)C(=O)OC

IUPAC: 2,4-dimethyl 3-{2-[4-(pyridin-2-yl)piperazin-1-yl]acetyl}-1,3-thiazolidine-2,4-dicarboxylate

InChI: InChI=1/C18H24N4O5S/c1-26-17(24)13-12-28-16(18(25)27-2)22(13)15(23)11-20-7-9-21(10-8-20)14-5-3-4-6-19-14/h3-6,13,16H,7-12H2,1-2H3

Composition: C (52.93%), H (5.92%), N (13.72%), O (19.58%), S (7.85%)

Molar Mass: 408.47

Atom Count: 52

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	408.146741063
Formal Charge	0
FSP3	0.56
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	SXNDYWMCGNPRPI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.06
Topological Polar Surface Area	92.28
Polarizability	40.49
Ring Count	3
Rotatable Bond Count	7

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