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65241-11-4 | Di(butylcarbamic acid)2,2'-[[(2-methoxy-10H-phenothiazin-10-yl)carbonyl]imino]bisethyl ester
CAS No: 65241-11-4 Catalog No: AG00ETI2 MDL No:
Product Description
Catalog Number:
AG00ETI2
Chemical Name:
Di(butylcarbamic acid)2,2'-[[(2-methoxy-10H-phenothiazin-10-yl)carbonyl]imino]bisethyl ester
CAS Number:
65241-11-4
IUPAC Name:
2-[2-(butylcarbamoyloxy)ethyl-(2-methoxyphenothiazine-10-carbonyl)amino]ethyl N-butylcarbamate
InChI:
InChI=1S/C28H38N4O6S/c1-4-6-14-29-26(33)37-18-16-31(17-19-38-27(34)30-15-7-5-2)28(35)32-22-10-8-9-11-24(22)39-25-13-12-21(36-3)20-23(25)32/h8-13,20H,4-7,14-19H2,1-3H3,(H,29,33)(H,30,34)
InChI Key:
FSTSEVQZGLSTPK-UHFFFAOYSA-N
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.251g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
558.694g/mol
Monoisotopic Mass:
558.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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