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176657-45-7 | Urea, N-(2-chloroethyl)-N'-[3-(10H-phenothiazin-10-yl)propyl]-
CAS No: 176657-45-7 Catalog No: AG0024SU MDL No:
Product Description
Catalog Number:
AG0024SU
Chemical Name:
Urea, N-(2-chloroethyl)-N'-[3-(10H-phenothiazin-10-yl)propyl]-
CAS Number:
176657-45-7
Molecular Formula:
C18H20ClN3OS
Molecular Weight:
361.8889
IUPAC Name:
1-(2-chloroethyl)-3-(3-phenothiazin-10-ylpropyl)urea
InChI:
InChI=1S/C18H20ClN3OS/c19-10-12-21-18(23)20-11-5-13-22-14-6-1-3-8-16(14)24-17-9-4-2-7-15(17)22/h1-4,6-9H,5,10-13H2,(H2,20,21,23)
InChI Key:
QRRVQRPXJRIYIC-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NCCCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.888g/mol
Monoisotopic Mass:
361.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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