hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate

C222H336N24O24S6 — CID 160756870

IUPAChexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate
SMILESCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21
InChIInChI=1S/2C39H60N4O4S.2C37H56N4O4S.2C35H52N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(44)46-31-47-39(45)43-35-24-22-21-23-34(35)40-37-33(30-32(2)48-37)38(43)42-28-26-41(3)27-29-42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(44)46-31-47-39(45)43-35-24-22-21-23-34(35)40-37(33-30-32(2)48-38(33)43)42-28-26-41(3)27-29-42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(42)44-29-45-37(43)41-33-22-20-19-21-32(33)38-35-31(28-30(2)46-35)36(41)40-26-24-39(3)25-27-40;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(42)44-29-45-37(43)41-33-22-20-19-21-32(33)38-35(31-28-30(2)46-36(31)41)40-26-24-39(3)25-27-40;1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(40)42-27-43-35(41)39-31-20-18-17-19-30(31)36-33-29(26-28(2)44-33)34(39)38-24-22-37(3)23-25-38;1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(40)42-27-43-35(41)39-31-20-18-17-19-30(31)36-33(29-26-28(2)44-34(29)39)38-24-22-37(3)23-25-38/h2*21-24,30H,4-20,25-29,31H2,1-3H3;2*19-22,28H,4-18,23-27,29H2,1-3H3;2*17-20,26H,4-16,21-25,27H2,1-3H3
InChIKeyRXNXEXPXMZTATO-UHFFFAOYSA-N
MW3917.68 g/mol
LogP53.32
Rot. Bonds111

About hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate

hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate (PubChem CID 160756870) has the molecular formula C222H336N24O24S6 and a molecular weight of 3917.68 g/mol. Its IUPAC name is hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate.

Molecular Properties

Compound Namehexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate
PubChem CID160756870
Molecular FormulaC222H336N24O24S6
Molecular Weight3917.68 g/mol
Exact Mass3914.41
IUPAC Namehexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate
SMILESCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21
InChIInChI=1S/2C39H60N4O4S.2C37H56N4O4S.2C35H52N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(44)46-31-47-39(45)43-35-24-22-21-23-34(35)40-37-33(30-32(2)48-37)38(43)42-28-26-41(3)27-29-42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(44)46-31-47-39(45)43-35-24-22-21-23-34(35)40-37(33-30-32(2)48-38(33)43)42-28-26-41(3)27-29-42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(42)44-29-45-37(43)41-33-22-20-19-21-32(33)38-35-31(28-30(2)46-35)36(41)40-26-24-39(3)25-27-40;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(42)44-29-45-37(43)41-33-22-20-19-21-32(33)38-35(31-28-30(2)46-36(31)41)40-26-24-39(3)25-27-40;1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(40)42-27-43-35(41)39-31-20-18-17-19-30(31)36-33-29(26-28(2)44-33)34(39)38-24-22-37(3)23-25-38;1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(40)42-27-43-35(41)39-31-20-18-17-19-30(31)36-33(29-26-28(2)44-34(29)39)38-24-22-37(3)23-25-38/h2*21-24,30H,4-20,25-29,31H2,1-3H3;2*19-22,28H,4-18,23-27,29H2,1-3H3;2*17-20,26H,4-16,21-25,27H2,1-3H3
InChIKeyRXNXEXPXMZTATO-UHFFFAOYSA-N
XLogP53.32
TPSA448.08 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds111
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003917.68
LogP ≤ 553.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate with MolForge

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Related Compounds

pentadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate
CID 71621038
1-icosanoyloxyethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate
CID 71622103
1-tetracosanoyloxyethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate
CID 71622245
1-O-[[2-methyl-4-[2-(methylamino)ethylimino]-5H-thieno[3,2-c][1,5]benzodiazepine-10-carbonyl]oxymethyl] 5-O-[[2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carbonyl]oxymethyl] 2-methylpentanedioate
CID 137139848
2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine
CID 70302364
2-methyl-4-(4-methylpiperazin-1-yl)-10-oxidothieno[2,3-b][1,5]benzodiazepine
CID 18315391
[1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-1-ium-1-yl]methyl hexadecanoate
CID 135998120
methyl 4-chloro-4-oxobutanoate;2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine;4-[2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepin-10-yl]-4-oxobutanoic acid
CID 159984499
1,14-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecane-1,14-dione
CID 57326791
1,12-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]dodecane-1,12-dione
CID 57326790
1-octadecanoyloxyethyl 3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine-5-carboxylate
CID 71622373
2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1]benzazepine
CID 139314589

Frequently Asked Questions

What is the IUPAC name of hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate?
The IUPAC name of hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate (CID 160756870) is hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate.
What is the SMILES notation for hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate?
The canonical SMILES for hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate is CCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2cc(C)sc2=Nc2ccccc21.CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)N1c2ccccc2N=C(N2CCN(C)CC2)c2cc(C)sc21.
What is the InChIKey of hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate?
The InChIKey is RXNXEXPXMZTATO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H60N4O4S.2C37H56N4O4S.2C35H52N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(44)46-31-47-39(45)43-35-24-22-21-23-34(35)40-37-33(30-32(2)48-37)38(43)42-28-26-41(3)27-29-42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(44)46-31-47-39(45)43-35-24-22-21-23-34(35)40-37(33-30-32(2)48-38(33)43)42-28-26-41(3)27-29-42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(42)44-29-45-37(43)41-33-22-20-19-21-32(33)38-35-31(28-30(2)46-35)36(41)40-26-24-39(3)25-27-40;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(42)44-29-45-37(43)41-33-22-20-19-21-32(33)38-35(31-28-30(2)46-36(31)41)40-26-24-39(3)25-27-40;1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(40)42-27-43-35(41)39-31-20-18-17-19-30(31)36-33-29(26-28(2)44-33)34(39)38-24-22-37(3)23-25-38;1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(40)42-27-43-35(41)39-31-20-18-17-19-30(31)36-33(29-26-28(2)44-34(29)39)38-24-22-37(3)23-25-38/h2*21-24,30H,4-20,25-29,31H2,1-3H3;2*19-22,28H,4-18,23-27,29H2,1-3H3;2*17-20,26H,4-16,21-25,27H2,1-3H3.
What are the key properties of hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate?
hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate has a molecular weight of 3917.68 g/mol, XLogP of 53.32, 111 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;hexadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;icosanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzodiazepine-10-carboxylate;octadecanoyloxymethyl 2-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-c][1,5]benzodiazepine-5-carboxylate is sourced from PubChem (CID 160756870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).