7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one

C23H15NO3S — CID 132601771

IUPAC7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one
SMILESCOc1ccc(C2=c3c(=O)oc4ccccc4c3=Nc3ccccc3S2)cc1
InChIInChI=1S/C23H15NO3S/c1-26-15-12-10-14(11-13-15)22-20-21(24-17-7-3-5-9-19(17)28-22)16-6-2-4-8-18(16)27-23(20)25/h2-13H,1H3
InChIKeyXTZSHYARRRTMNM-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.02
Rot. Bonds2

About 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one

7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one (PubChem CID 132601771) has the molecular formula C23H15NO3S and a molecular weight of 385.44 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one
PubChem CID132601771
Molecular FormulaC23H15NO3S
Molecular Weight385.44 g/mol
Exact Mass385.08
IUPAC Name7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one
SMILESCOc1ccc(C2=c3c(=O)oc4ccccc4c3=Nc3ccccc3S2)cc1
InChIInChI=1S/C23H15NO3S/c1-26-15-12-10-14(11-13-15)22-20-21(24-17-7-3-5-9-19(17)28-22)16-6-2-4-8-18(16)27-23(20)25/h2-13H,1H3
InChIKeyXTZSHYARRRTMNM-UHFFFAOYSA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one?
The IUPAC name of 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one (CID 132601771) is 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one.
What is the SMILES notation for 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one?
The canonical SMILES for 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one is COc1ccc(C2=c3c(=O)oc4ccccc4c3=Nc3ccccc3S2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one?
The InChIKey is XTZSHYARRRTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO3S/c1-26-15-12-10-14(11-13-15)22-20-21(24-17-7-3-5-9-19(17)28-22)16-6-2-4-8-18(16)27-23(20)25/h2-13H,1H3.
What are the key properties of 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one?
7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one has a molecular weight of 385.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)chromeno[3,4-c][1,5]benzothiazepin-6-one is sourced from PubChem (CID 132601771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).