dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate

C25H42Cl2MnN6O3 — CID 160561585

IUPACdichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)Oc1ccc2nc1CN[C@@H]1CCCC[C@H]1NCCN[C@@H]1CCCC[C@H]1NC2.Cl[Mn]Cl
InChIInChI=1S/C25H42N6O3.2ClH.Mn/c1-33-15-14-28-25(32)34-24-11-10-18-16-29-21-8-4-2-6-19(21)26-12-13-27-20-7-3-5-9-22(20)30-17-23(24)31-18;;;/h10-11,19-22,26-27,29-30H,2-9,12-17H2,1H3,(H,28,32);2*1H;/q;;;+2/p-2/t19-,20-,21-,22-;;;/m1.../s1
InChIKeyQZJPSBQOCNIMAB-JVCORYLJSA-L
MW600.49 g/mol
LogP3.19
Rot. Bonds4

About dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate

dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate (PubChem CID 160561585) has the molecular formula C25H42Cl2MnN6O3 and a molecular weight of 600.49 g/mol. Its IUPAC name is dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Namedichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate
PubChem CID160561585
Molecular FormulaC25H42Cl2MnN6O3
Molecular Weight600.49 g/mol
Exact Mass599.21
IUPAC Namedichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)Oc1ccc2nc1CN[C@@H]1CCCC[C@H]1NCCN[C@@H]1CCCC[C@H]1NC2.Cl[Mn]Cl
InChIInChI=1S/C25H42N6O3.2ClH.Mn/c1-33-15-14-28-25(32)34-24-11-10-18-16-29-21-8-4-2-6-19(21)26-12-13-27-20-7-3-5-9-22(20)30-17-23(24)31-18;;;/h10-11,19-22,26-27,29-30H,2-9,12-17H2,1H3,(H,28,32);2*1H;/q;;;+2/p-2/t19-,20-,21-,22-;;;/m1.../s1
InChIKeyQZJPSBQOCNIMAB-JVCORYLJSA-L
XLogP3.19
TPSA108.57 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.49
LogP ≤ 53.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate?
The IUPAC name of dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate (CID 160561585) is dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate.
What is the SMILES notation for dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate?
The canonical SMILES for dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate is COCCNC(=O)Oc1ccc2nc1CN[C@@H]1CCCC[C@H]1NCCN[C@@H]1CCCC[C@H]1NC2.Cl[Mn]Cl.
What is the InChIKey of dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate?
The InChIKey is QZJPSBQOCNIMAB-JVCORYLJSA-L. The full InChI is InChI=1S/C25H42N6O3.2ClH.Mn/c1-33-15-14-28-25(32)34-24-11-10-18-16-29-21-8-4-2-6-19(21)26-12-13-27-20-7-3-5-9-22(20)30-17-23(24)31-18;;;/h10-11,19-22,26-27,29-30H,2-9,12-17H2,1H3,(H,28,32);2*1H;/q;;;+2/p-2/t19-,20-,21-,22-;;;/m1.../s1.
What are the key properties of dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate?
dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate has a molecular weight of 600.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromanganese;[(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-trien-23-yl] N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 160561585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).