4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine

C17H15ClN2O3S — CID 142487547

IUPAC4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine
SMILESClc1nnc(-c2ccccc2OC[C@@H]2COCCO2)c2sccc12
InChIInChI=1S/C17H15ClN2O3S/c18-17-13-5-8-24-16(13)15(19-20-17)12-3-1-2-4-14(12)23-10-11-9-21-6-7-22-11/h1-5,8,11H,6-7,9-10H2/t11-/m0/s1
InChIKeyUTNAQHYYQSHBAM-NSHDSACASA-N
MW362.84 g/mol
LogP3.81
Rot. Bonds4

About 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine

4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine (PubChem CID 142487547) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine
PubChem CID142487547
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine
SMILESClc1nnc(-c2ccccc2OC[C@@H]2COCCO2)c2sccc12
InChIInChI=1S/C17H15ClN2O3S/c18-17-13-5-8-24-16(13)15(19-20-17)12-3-1-2-4-14(12)23-10-11-9-21-6-7-22-11/h1-5,8,11H,6-7,9-10H2/t11-/m0/s1
InChIKeyUTNAQHYYQSHBAM-NSHDSACASA-N
XLogP3.81
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine (CID 142487547) is 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine is Clc1nnc(-c2ccccc2OC[C@@H]2COCCO2)c2sccc12.
What is the InChIKey of 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine?
The InChIKey is UTNAQHYYQSHBAM-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-17-13-5-8-24-16(13)15(19-20-17)12-3-1-2-4-14(12)23-10-11-9-21-6-7-22-11/h1-5,8,11H,6-7,9-10H2/t11-/m0/s1.
What are the key properties of 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine?
4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine has a molecular weight of 362.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[2-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 142487547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).