C22H29N5O2S structure

C22H29N5O2S

2-[(4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-ethylamino]ethanol

Also Known As: 2-((2,2-dimethyl-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)(ethyl)amino)ethanol|2-{[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl](ethyl)amino}ethanol

CAS: 845666-67-3
Molecular Formula C22H29N5O2S
Molecular Weight 427.2042 g/mol
LogP 3.5096
Topological Polar Surface Area 74.61 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 5
Exact Mass 427.2042
Monoisotopic Mass 427.2042
Heavy Atoms 30
Complexity 1090.2517

Chemical Identifiers

CAS Number 845666-67-3
SMILES CCN(CCO)C1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCCC5

Product Overview

C22H29N5O2S (CAS 845666-67-3), with molecular formula C22H29N5O2S and molecular weight 427.2042 g/mol. IUPAC: 2-[(4,4-dimethyl-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-ethylamino]ethanol.

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