ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate

C15H14ClNO2S — CID 24947858

IUPACethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate
SMILESCCOC(=O)N1c2ccccc2SC2C=CC(Cl)=CC21
InChIInChI=1S/C15H14ClNO2S/c1-2-19-15(18)17-11-5-3-4-6-13(11)20-14-8-7-10(16)9-12(14)17/h3-9,12,14H,2H2,1H3
InChIKeyZZPJTPBOJYUDSI-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.18
Rot. Bonds1

About ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate

ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate (PubChem CID 24947858) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate
PubChem CID24947858
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Nameethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate
SMILESCCOC(=O)N1c2ccccc2SC2C=CC(Cl)=CC21
InChIInChI=1S/C15H14ClNO2S/c1-2-19-15(18)17-11-5-3-4-6-13(11)20-14-8-7-10(16)9-12(14)17/h3-9,12,14H,2H2,1H3
InChIKeyZZPJTPBOJYUDSI-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate?
The IUPAC name of ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate (CID 24947858) is ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate?
The canonical SMILES for ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate is CCOC(=O)N1c2ccccc2SC2C=CC(Cl)=CC21.
What is the InChIKey of ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate?
The InChIKey is ZZPJTPBOJYUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-2-19-15(18)17-11-5-3-4-6-13(11)20-14-8-7-10(16)9-12(14)17/h3-9,12,14H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate?
ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate has a molecular weight of 307.80 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate is sourced from PubChem (CID 24947858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).