Name: Name:3,5-Pyridinedicarboxylic acid, 4-(3-aminophenyl)-1,4-dihydro-2,6-dimethyl-, 3-(2-methoxyethyl) 5-(1-methylethyl) ester
Brand: Angene
SKU: AG001OA7
Rating: 90 (10 reviews)

3,5-Pyridinedicarboxylic acid, 4-(3-aminophenyl)-1,4-dihydro-2,6-dimethyl-, 3-(2-methoxyethyl) 5-(1-methylethyl) ester

CAS No.:

155861-24-8

Catalog Number:

AG001OA7

Molecular Formula:

C21H28N2O5

Molecular Weight:

388.4574

Catalog Number:

AG001OA7

Chemical Name:

3,5-Pyridinedicarboxylic acid, 4-(3-aminophenyl)-1,4-dihydro-2,6-dimethyl-, 3-(2-methoxyethyl) 5-(1-methylethyl) ester

CAS Number:

155861-24-8

Molecular Formula:

C21H28N2O5

Molecular Weight:

388.4574

IUPAC Name:

3-O-(2-methoxyethyl) 5-O-propan-2-yl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

InChI:

InChI=1S/C21H28N2O5/c1-12(2)28-21(25)18-14(4)23-13(3)17(20(24)27-10-9-26-5)19(18)15-7-6-8-16(22)11-15/h6-8,11-12,19,23H,9-10,22H2,1-5H3

InChI Key:

GUJDTMSUOZMUQI-UHFFFAOYSA-N

SMILES:

COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N)C(=O)OC(C)C)C

Complexity:

653

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

388.2g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

388.464g/mol

Monoisotopic Mass:

388.2g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5