AC1M1EIS structure

AC1M1EIS

4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-N-(2-morpholin-4-ylethyl)-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-amine

Also Known As: Oprea1_595290|2,2-dimethyl-5-(2-methylpropyl)-10-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine|5-isobutyl-2,2-dimethyl-10-(methylthio)-N-(2-morpholinoethyl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine

CAS: 849019-89-2
Molecular Formula C25H35N5O2S2
Molecular Weight 501.2232 g/mol
LogP 4.7553
Topological Polar Surface Area 72.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 7
Exact Mass 501.2232
Monoisotopic Mass 501.2232
Heavy Atoms 34
Complexity 1187.4622

Chemical Identifiers

CAS Number 849019-89-2
SMILES CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC(=N4)SC)NCCN5CCOCC5

Product Overview

AC1M1EIS (CAS 849019-89-2), with molecular formula C25H35N5O2S2 and molecular weight 501.2232 g/mol. IUPAC: 4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-N-(2-morpholin-4-ylethyl)-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-amine.

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