AC1MD4EJ structure

AC1MD4EJ

ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-triene-4-carboxylate

Also Known As: TimTec1_001078|Oprea1_477924|Oprea1_873811|BAS 00584476|NCGC00057294-02|NCGC00057294-03|NCGC00174816-01|ethyl 12-oxo-1,2,3,4,7,9,10,12-octahydro-8H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylate|AH-262/32338013|SR-01000454832-1|BRD-A45401072-001-01-5|BRD-A45401072-001-08-0|Ethyl 12-oxo-1,2,3,4,7,9,10,12-octahydro-8H-benzo[4,5]thieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylate|ETHYL 9-OXO-17-THIA-2,8-DIAZATETRACYCLO[8.7.0.0(3),?.0(1)(1),(1)?]HEPTADECA-1(10),2,11(16)-TRIENE-4-CARBOXYLATE|Ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-triene-4-carboxylate|ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.0(3),.0(1)(1),(1)]heptadeca-1(10),2,11(16)-triene-4-carboxylate|1,2,3,4,7,9,10,12-Octahydro-12-oxo-8H-[1]-benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid ethyl ester|1,2,3,4,7,9,10,12-Octahydro-12-oxo-8H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid ethyl ester|ethyl 12-oxo-1,2,3,4,11-pentahydrobenzo[b]thiopheno[2,3-d]piperidino[1,2-a]pyr imidine-7-carboxylate|ethyl 12-oxo-2,3,4,7,8,9,10,12-octahydro-1H-benzo[4,5]thieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylate

CAS: 329059-69-0
Molecular Formula C17H20N2O3S
Molecular Weight 332.11948 g/mol
LogP 2.7773
Topological Polar Surface Area 61.19 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 332.11948
Monoisotopic Mass 332.11948
Heavy Atoms 23
Complexity 836.45654

Chemical Identifiers

CAS Number 329059-69-0
SMILES CCOC(=O)C1CCCN2C1=NC3=C(C2=O)C4=C(S3)CCCC4

Product Overview

AC1MD4EJ (CAS 329059-69-0), with molecular formula C17H20N2O3S and molecular weight 332.11948 g/mol. IUPAC: ethyl 9-oxo-17-thia-2,8-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-triene-4-carboxylate.

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