[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate

C34H44Cl2N6O7 — CID 141454355

IUPAC[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)Oc2cc(Cl)c(C(=O)c3cc(Cl)ccc3OC(=O)N3CCN(CC)CC3)cc2OC(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C34H44Cl2N6O7/c1-4-37-9-15-40(16-10-37)32(44)47-28-8-7-24(35)21-26(28)31(43)25-22-29(48-33(45)41-17-11-38(5-2)12-18-41)30(23-27(25)36)49-34(46)42-19-13-39(6-3)14-20-42/h7-8,21-23H,4-6,9-20H2,1-3H3
InChIKeyIOEGWONBCDNDKT-UHFFFAOYSA-N
MW719.67 g/mol
LogP4.63
Rot. Bonds8

About [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate

[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate (PubChem CID 141454355) has the molecular formula C34H44Cl2N6O7 and a molecular weight of 719.67 g/mol. Its IUPAC name is [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate
PubChem CID141454355
Molecular FormulaC34H44Cl2N6O7
Molecular Weight719.67 g/mol
Exact Mass718.26
IUPAC Name[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)Oc2cc(Cl)c(C(=O)c3cc(Cl)ccc3OC(=O)N3CCN(CC)CC3)cc2OC(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C34H44Cl2N6O7/c1-4-37-9-15-40(16-10-37)32(44)47-28-8-7-24(35)21-26(28)31(43)25-22-29(48-33(45)41-17-11-38(5-2)12-18-41)30(23-27(25)36)49-34(46)42-19-13-39(6-3)14-20-42/h7-8,21-23H,4-6,9-20H2,1-3H3
InChIKeyIOEGWONBCDNDKT-UHFFFAOYSA-N
XLogP4.63
TPSA115.41 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500719.67
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate with MolForge

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Related Compounds

[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate
CID 153248648
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93192409
(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
CID 108944601
tert-butyl 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 22143020
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 134016848
(4-chloro-2-methylphenyl) piperazine-1-carboxylate
CID 82298956
(2,5-dichloro-4-hydroxyphenyl) 4-dodecylpiperazine-1-carboxylate
CID 18339479
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate?
The IUPAC name of [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate (CID 141454355) is [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate is CCN1CCN(C(=O)Oc2cc(Cl)c(C(=O)c3cc(Cl)ccc3OC(=O)N3CCN(CC)CC3)cc2OC(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate?
The InChIKey is IOEGWONBCDNDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44Cl2N6O7/c1-4-37-9-15-40(16-10-37)32(44)47-28-8-7-24(35)21-26(28)31(43)25-22-29(48-33(45)41-17-11-38(5-2)12-18-41)30(23-27(25)36)49-34(46)42-19-13-39(6-3)14-20-42/h7-8,21-23H,4-6,9-20H2,1-3H3.
What are the key properties of [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate?
[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate has a molecular weight of 719.67 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 141454355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).