2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-

HCID 79650CAS 5516-22-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)c1nc(Cl)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1
InChIKey
RWZSFMOHCSPTDM-UHFFFAOYSA-N
Molecular formula
C22H20ClN5O2
Average molar mass
421.9 g/mol
Monoisotopic mass
421.13055256

Names & identifiers

Preferred name
2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-
IUPAC
7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenylchromen-2-one
English name
7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-benzopyrone
Molecular formula
C22H20ClN5O2
Molecular weight
421.8795

Names & synonyms

2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-(3-Phenylcoumarin-7-ylamino)-4-chloro-6-diethylamino-s-triazineEINECS 226-861-4NSC 338963DTXSID50639402H-1-Benzopyran-2-one, 7-((4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl)amino)-3-phenyl-RefChem:484147DTXCID60418445516-22-37-{[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino}-3-phenyl-2h-chromen-2-oneNSC338963MLS000758535
Show more names
7-amino>-3-phenylcoumarin7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2-benzopyrone2-(3-Phenyl-2-oxo-2H-1-benzopyran-7-ylamino)-4-chloro-6-diethylamino-1,3,5-triazine7-[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-2H-1-benzopyran-2-one
NSC-338963Coumarin, 7-((4-chloro-6-(diethylamino)-s-triazin-2-yl)amino)-3-phenyl-Coumarin, 7-[[4-chloro-6-(diethylamino)-s-triazin-2-yl]amino]-3-phenyl-TINOPAL SFGHAKKOL PYB-DSCHEMBL194079X89V4CV52RSCHEMBL29999754

Database identifiers

CAS
5516-22-3
PubChem CID
79650
DTXSID
DTXSID5063940
UNII
X89V4CV52R
EC Number
226-861-4
Nikkaji
J60.860B

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
80.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Physicochemical properties

Melting point
199 · 199-200 °C
Boiling point
641.8 · 641.8±65.0 °C(Predicted)
Density
1.37 · 1.370±0.06 g/cm3(Predicted)
pka
1.74 · 1.74±0.10(Predicted)
FDA UNII
89 V4CV52R · X89V4CV52R
EPA Substance Registry System
2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl- (5516-22-3)

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2H-1-Benzopyran-2-one, 7-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-phenyl-: ACTIVE

Suppliers1 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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