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17415-87-1 | Carbamic acid, [3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl]-, phenylmethyl ester (9CI)
CAS No: 17415-87-1 Catalog No: AG001ZH6 MDL No:
Product Description
Catalog Number:
AG001ZH6
Chemical Name:
Carbamic acid, [3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl]-, phenylmethyl ester (9CI)
CAS Number:
17415-87-1
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
benzyl N-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamate
InChI:
InChI=1S/C19H18N2O4/c22-17-15-9-4-5-10-16(15)18(23)21(17)12-6-11-20-19(24)25-13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,20,24)
InChI Key:
MFCVVYZLWCGOLS-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCCN1C(=O)c2c(C1=O)cccc2
NSC Number:
93031
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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