tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate

C32H36Cl2N6O7S — CID 59277013

IUPACtert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CN(c1ccc2c(c1)CCN2c1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)nn1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C32H36Cl2N6O7S/c1-31(2,3)46-28(41)19-40(48(44,45)24-17-21(33)16-22(34)18-24)23-7-8-25-20(15-23)11-12-37(25)26-9-10-27(36-35-26)38-13-14-39(29(38)42)30(43)47-32(4,5)6/h7-10,15-18H,11-14,19H2,1-6H3
InChIKeyMJZLLEIKWGBQDK-UHFFFAOYSA-N
MW719.65 g/mol
LogP6.19
Rot. Bonds7

About tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate

tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate (PubChem CID 59277013) has the molecular formula C32H36Cl2N6O7S and a molecular weight of 719.65 g/mol. Its IUPAC name is tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate
PubChem CID59277013
Molecular FormulaC32H36Cl2N6O7S
Molecular Weight719.65 g/mol
Exact Mass718.17
IUPAC Nametert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CN(c1ccc2c(c1)CCN2c1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)nn1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C32H36Cl2N6O7S/c1-31(2,3)46-28(41)19-40(48(44,45)24-17-21(33)16-22(34)18-24)23-7-8-25-20(15-23)11-12-37(25)26-9-10-27(36-35-26)38-13-14-39(29(38)42)30(43)47-32(4,5)6/h7-10,15-18H,11-14,19H2,1-6H3
InChIKeyMJZLLEIKWGBQDK-UHFFFAOYSA-N
XLogP6.19
TPSA142.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.65
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate (CID 59277013) is tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate is CC(C)(C)OC(=O)CN(c1ccc2c(c1)CCN2c1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)nn1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate?
The InChIKey is MJZLLEIKWGBQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N6O7S/c1-31(2,3)46-28(41)19-40(48(44,45)24-17-21(33)16-22(34)18-24)23-7-8-25-20(15-23)11-12-37(25)26-9-10-27(36-35-26)38-13-14-39(29(38)42)30(43)47-32(4,5)6/h7-10,15-18H,11-14,19H2,1-6H3.
What are the key properties of tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate?
tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate has a molecular weight of 719.65 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydroindol-1-yl]pyridazin-3-yl]-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 59277013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).