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ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate structure

CAS No:
5966-92-7
Formula:
C18H23Cl2N3O3
Chemical Name:
ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Synonyms:
5966-92-7;Ethyl 4-(4-(bis(2-chloroethyl)amino)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;Ethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;NSC166060;DTXSID00304510;NSC-166060

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ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Basic Attributes

Molecular Weight：

400.3 g/mol

Exact Mass：

399.1116470 g/mol

NSC Number：

166060

DSSTox ID：

DTXSID00304510

Characteristics

PSA：

70.7 Å²

Computed Properties

Molecular Weight:400.3
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:399.1116470
Monoisotopic Mass:399.1116470
Topological Polar Surface Area:70.7
Heavy Atom Count:26
Complexity:528
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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