Sintamil

C₁₈H₁₉N₃O₄ — CID 27857

About Sintamil

Sintamil (PubChem CID 27857) has the molecular formula C₁₈H₁₉N₃O₄ and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one.

Molecular Properties

• Compound Name: Sintamil
• PubChem CID: 27857
• Molecular Formula: C₁₈H₁₉N₃O₄
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.14
• IUPAC Name: 5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one
• SMILES: CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc21
• InChI: InChI=1S/C18H19N3O4/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22/h3-4,6-9,12H,5,10-11H2,1-2H3
• InChIKey: CGYWLLGTCBIGSR-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 75.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sintamil?

The IUPAC name of Sintamil (CID 27857) is 5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one.

What is the SMILES notation for Sintamil?

The canonical SMILES for Sintamil is CN(C)CCCN1C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc21.

What is the InChIKey of Sintamil?

The InChIKey is CGYWLLGTCBIGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22/h3-4,6-9,12H,5,10-11H2,1-2H3.

What are the key properties of Sintamil?

Sintamil has a molecular weight of 341.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Sintamil is sourced from PubChem (CID 27857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 27857 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4003 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.