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102433-68-1 | Urea, N-(2-chloroethyl)-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)-
CAS No: 102433-68-1 Catalog No: AG0007HM MDL No:
Product Description
Catalog Number:
AG0007HM
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)-
CAS Number:
102433-68-1
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
InChI:
InChI=1S/C13H17ClN2O/c14-8-9-15-13(17)16-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7H,1-2,4,6,8-9H2,(H2,15,16,17)
InChI Key:
JCPNMNMCKYEXRY-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cccc2c1CCCC2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| A comparative molecular field and comparative molecular similarity indices analyses (CoMFA and CoMSIA) of N-phenyl-N'-(2-chloroethyl)ureas targeting the colchicine-binding site as anticancer agents. | Bioorganic & medicinal chemistry 20080215 |
| Antimitotic antitumor agents: synthesis, structure-activity relationships, and biological characterization of N-aryl-N'-(2-chloroethyl)ureas as new selective alkylating agents. | Journal of medicinal chemistry 20010301 |
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