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198543-46-3 | Carbamic acid, [(1R)-2-[[(acetylamino)methyl]thio]-1-(hydroxymethyl)ethyl]-, 9H-fluoren-9-ylmethyl ester (9CI)
CAS No: 198543-46-3 Catalog No: AG002BL1 MDL No:MFCD02094116
Product Description
Catalog Number:
AG002BL1
Chemical Name:
Carbamic acid, [(1R)-2-[[(acetylamino)methyl]thio]-1-(hydroxymethyl)ethyl]-, 9H-fluoren-9-ylmethyl ester (9CI)
CAS Number:
198543-46-3
Molecular Formula:
C21H24N2O4S
Molecular Weight:
400.4913
MDL Number:
MFCD02094116
IUPAC Name:
9H-fluoren-9-ylmethyl N-[(2R)-1-(acetamidomethylsulfanyl)-3-hydroxypropan-2-yl]carbamate
InChI:
InChI=1S/C21H24N2O4S/c1-14(25)22-13-28-12-15(10-24)23-21(26)27-11-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,24H,10-13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChI Key:
ILFFSHOJZXAWJQ-OAHLLOKOSA-N
SMILES:
OC[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CSCNC(=O)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
400.146g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.493g/mol
Monoisotopic Mass:
400.146g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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