6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C19H15Cl2N5O2S — CID 10575438

IUPAC6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C19H15Cl2N5O2S/c1-2-26-19-17(18(22)25-29(26,27)28)23-15(11-3-7-13(20)8-4-11)16(24-19)12-5-9-14(21)10-6-12/h3-10H,2H2,1H3,(H2,22,25)
InChIKeySIWMLXXCWWCYTN-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.91
Rot. Bonds3

About 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10575438) has the molecular formula C19H15Cl2N5O2S and a molecular weight of 448.34 g/mol. Its IUPAC name is 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10575438
Molecular FormulaC19H15Cl2N5O2S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCCN1c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O
InChIInChI=1S/C19H15Cl2N5O2S/c1-2-26-19-17(18(22)25-29(26,27)28)23-15(11-3-7-13(20)8-4-11)16(24-19)12-5-9-14(21)10-6-12/h3-10H,2H2,1H3,(H2,22,25)
InChIKeySIWMLXXCWWCYTN-UHFFFAOYSA-N
XLogP3.91
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10575438) is 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is CCN1c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2C(N)=NS1(=O)=O.
What is the InChIKey of 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is SIWMLXXCWWCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2S/c1-2-26-19-17(18(22)25-29(26,27)28)23-15(11-3-7-13(20)8-4-11)16(24-19)12-5-9-14(21)10-6-12/h3-10H,2H2,1H3,(H2,22,25).
What are the key properties of 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 448.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10575438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).