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95756-48-2 | Thiourea, N-[3-(3-methoxy-10H-phenothiazin-10-yl)propyl]-N'-phenyl-
CAS No: 95756-48-2 Catalog No: AG005XE5 MDL No:
Product Description
Catalog Number:
AG005XE5
Chemical Name:
Thiourea, N-[3-(3-methoxy-10H-phenothiazin-10-yl)propyl]-N'-phenyl-
CAS Number:
95756-48-2
Molecular Formula:
C23H23N3OS2
Molecular Weight:
421.5782
IUPAC Name:
1-[3-(3-methoxyphenothiazin-10-yl)propyl]-3-phenylthiourea
InChI:
InChI=1S/C23H23N3OS2/c1-27-18-12-13-20-22(16-18)29-21-11-6-5-10-19(21)26(20)15-7-14-24-23(28)25-17-8-3-2-4-9-17/h2-6,8-13,16H,7,14-15H2,1H3,(H2,24,25,28)
InChI Key:
OOEUUGLVPKYULT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)Sc1c(N2CCCNC(=S)Nc2ccccc2)cccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.128g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.577g/mol
Monoisotopic Mass:
421.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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