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121635-60-7 | 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-[2-(4-morpholinyl)acetyl]-, ethyl ester
CAS No: 121635-60-7 Catalog No: AG0015GJ MDL No:
Product Description
Catalog Number:
AG0015GJ
Chemical Name:
1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-[2-(4-morpholinyl)acetyl]-, ethyl ester
CAS Number:
121635-60-7
Molecular Formula:
C19H27N3O4
Molecular Weight:
361.4354
IUPAC Name:
ethyl 4-methyl-5-(2-morpholin-4-ylacetyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
InChI:
InChI=1S/C19H27N3O4/c1-3-26-19(24)16-12-14(2)22(17-7-5-4-6-15(17)20-16)18(23)13-21-8-10-25-11-9-21/h4-7,14,16,20H,3,8-13H2,1-2H3
InChI Key:
JTLWBSMODDNMNF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(C)N(c2c(N1)cccc2)C(=O)CN1CCOCC1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.442g/mol
Monoisotopic Mass:
361.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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