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178980-42-2 | 1H-Imidazole-1,2-diethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, dicarbamate (ester) (9CI)
CAS No: 178980-42-2 Catalog No: AG0026MS MDL No:
Product Description
Catalog Number:
AG0026MS
Chemical Name:
1H-Imidazole-1,2-diethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, dicarbamate (ester) (9CI)
CAS Number:
178980-42-2
IUPAC Name:
2-[1-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate
InChI:
InChI=1S/C18H22Cl2N4O4S/c1-10(2)15-16(29-13-8-11(19)7-12(20)9-13)24(4-6-28-18(22)26)14(23-15)3-5-27-17(21)25/h7-10H,3-6H2,1-2H3,(H2,21,25)(H2,22,26)
InChI Key:
PAFLLKQFIMCHQX-UHFFFAOYSA-N
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.074g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.358g/mol
Monoisotopic Mass:
460.074g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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