(S)-3-amino-5-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-1-benzopyran

HCID 11139461

Basic information

Standard SMILES
CN1CCN(c2cccc3c2C[C@H](N)CO3)CC1
InChIKey
JPBKRGNCULCUON-NSHDSACASA-N
Molecular formula
C14H21N3O
Average molar mass
247.34 g/mol

Names & identifiers

Preferred name
(S)-3-amino-5-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-1-benzopyran
IUPAC
(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine

Names & synonyms

SCHEMBL4751796JPBKRGNCULCUON-NSHDSACASA-N(S)-3-amino-5-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-1-benzopyran(S)-3-amino-5-(4-methylpiperazin-1-yl)-3,4 dihydro-2H-1-benzopyran(S)-3-amino-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran

Database identifiers

PubChem CID
11139461

Properties

Computed structural properties

XLogP
1
Topological polar surface area
41.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
18

Related reactions

57 records

Linked notes

Loading…