Molecule ID: 3969

IUPAC Name: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone

Description: The molecule is a member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. It has a role as a leukotriene antagonist and an anti-asthmatic drug. It is a member of tetrazoles, a member of acetophenones, a member of phenols and an aromatic ether.

SMILES: CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O

SELFIES: [C][C][C][C][=C][Branch1][=N][O][C][C][C][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.7