7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine

C15H11Cl2N3S — CID 110181326

IUPAC7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine
SMILESCSC1=Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1
InChIInChI=1S/C15H11Cl2N3S/c1-21-13-8-18-14(9-4-2-3-5-10(9)16)15-11(19-13)6-7-12(17)20-15/h2-7H,8H2,1H3
InChIKeyUUMNXCGIPCIVAU-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.63
Rot. Bonds1

About 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine

7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine (PubChem CID 110181326) has the molecular formula C15H11Cl2N3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine
PubChem CID110181326
Molecular FormulaC15H11Cl2N3S
Molecular Weight336.25 g/mol
Exact Mass335.01
IUPAC Name7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine
SMILESCSC1=Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1
InChIInChI=1S/C15H11Cl2N3S/c1-21-13-8-18-14(9-4-2-3-5-10(9)16)15-11(19-13)6-7-12(17)20-15/h2-7H,8H2,1H3
InChIKeyUUMNXCGIPCIVAU-UHFFFAOYSA-N
XLogP4.63
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
CID 110181250
7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-1,4-benzodiazepine
CID 12947075
7-chloro-5-(2-chlorophenyl)-1-(methoxymethyl)-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181173
7-chloro-5-(2-chlorophenyl)-1-prop-2-ynyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181149
12-chloro-9-(2-chlorophenyl)-4-[2-(dimethylamino)ethyl]-8,11-diaza-2-azoniatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),8,11,13-pentaen-3-one
CID 110181289
7-chloro-5-(2-chlorophenyl)-2-(2-piperidin-1-ylethylsulfanyl)-3H-1,4-benzodiazepine
CID 12947043
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-pyrido[3,2-e][1,4]diazepin-2-one
CID 110181061
N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide;hydrate
CID 134106760
(3E)-3-(1-aminoethylidene)-5-(2-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrido[3,2-e][1,4]diazepin-2-amine
CID 142373349
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-5H-1,4-diazepine
CID 25110809
7-chloro-N-ethyl-5-(2-fluorophenyl)-2-oxo-3H-pyrido[3,2-e][1,4]diazepine-1-carboxamide
CID 110180901
1,2-dichlorobenzene;naphthalene
CID 162050769

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine (CID 110181326) is 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine is CSC1=Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine?
The InChIKey is UUMNXCGIPCIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3S/c1-21-13-8-18-14(9-4-2-3-5-10(9)16)15-11(19-13)6-7-12(17)20-15/h2-7H,8H2,1H3.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine?
7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine has a molecular weight of 336.25 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-pyrido[3,2-e][1,4]diazepine is sourced from PubChem (CID 110181326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).