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121635-61-8 | 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-[2-(1-piperidinyl)acetyl]-, ethyl ester
CAS No: 121635-61-8 Catalog No: AG0015GI MDL No:
Product Description
Catalog Number:
AG0015GI
Chemical Name:
1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-[2-(1-piperidinyl)acetyl]-, ethyl ester
CAS Number:
121635-61-8
Molecular Formula:
C20H29N3O3
Molecular Weight:
359.4626
IUPAC Name:
ethyl 5-(1-hydroxy-1-piperidin-1-ylethyl)-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylate
InChI:
InChI=1S/C20H29N3O3/c1-4-26-19(24)17-14-15(2)23(18-11-7-6-10-16(18)21-17)20(3,25)22-12-8-5-9-13-22/h6-7,10-11,14,17,21,25H,4-5,8-9,12-13H2,1-3H3
InChI Key:
UZISQKXUYWNUFJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(C)N(c2c(N1)cccc2)C(=O)CN1CCCCC1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.221g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.47g/mol
Monoisotopic Mass:
359.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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