6-(4-Methylpiperazino)-8-isopropyl-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate

Base Information

• Chemical Name: 6-(4-Methylpiperazino)-8-isopropyl-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate
• CAS No.: 51724-05-1
• Molecular Formula: C29H35N3O8S
• Molecular Weight: 585.6685

Synonyms:6-(4-Methylpiperazino)-8-isopropyl-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate;(1)Benzothiepino(2,3-b)pyridine, 5,6-dihydro-8-(1-methylethyl)-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:2);51724-05-1;C21H27N3S.2C4H4O4;LS-41096;C21-H27-N3-S.2C4-H4-O4

Chemical Property of 6-(4-Methylpiperazino)-8-isopropyl-5,6-dihydrobenzo(b)pyrido(3,2-f)thiepin dimaleate

Chemical Property:

• Vapor Pressure: 1.54E-08mmHg at 25°C
• Boiling Point: 457.1°C at 760 mmHg
• Flash Point: 230.2°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 585.21448626
• Heavy Atom Count: 41
• Complexity: 554

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC=N3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C1=CC2=C(SC3=C(C=CC=N3)CC2N4CCN(CC4)C)C=C1)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

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