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65241-01-2 | Di(butylcarbamic acid)2,2'-[[(10H-phenothiazin-10-yl)carbonyl]imino]diethyl ester
CAS No: 65241-01-2 Catalog No: AG00ETIL MDL No:
Product Description
Catalog Number:
AG00ETIL
Chemical Name:
Di(butylcarbamic acid)2,2'-[[(10H-phenothiazin-10-yl)carbonyl]imino]diethyl ester
CAS Number:
65241-01-2
IUPAC Name:
2-[2-(butylcarbamoyloxy)ethyl-(phenothiazine-10-carbonyl)amino]ethyl N-butylcarbamate
InChI:
InChI=1S/C27H36N4O5S/c1-3-5-15-28-25(32)35-19-17-30(18-20-36-26(33)29-16-6-4-2)27(34)31-21-11-7-9-13-23(21)37-24-14-10-8-12-22(24)31/h7-14H,3-6,15-20H2,1-2H3,(H,28,32)(H,29,33)
InChI Key:
VCDBWVRRINRUOV-UHFFFAOYSA-N
NSC Number:
303593
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.241g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
528.668g/mol
Monoisotopic Mass:
528.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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