(S)5-{9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-ylmethyl}-thiophene-2-carboxylic acid

HCID 11614406
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]2CCCN(Cc3ccc(C(=O)O)s3)c3cc4c(cc32)COC4)n1
InChIKey
ZDKDDGYIIGDYRT-QHCPKHFHSA-N
Molecular formula
C29H26F6N6O3S
Average molar mass
652.6 g/mol

Names & identifiers

Preferred name
(S)5-{9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-ylmethyl}-thiophene-2-carboxylic acid
IUPAC
5-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]methyl]thiophene-2-carboxylic acid

Names & synonyms

(S)5-{9-[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-1,3,6,7,8,9-hexahydro-2-oxa-5-aza-cyclohepta[f]inden-5-ylmethyl}-thiophene-2-carboxylic acidSCHEMBL1380874

Database identifiers

PubChem CID
11614406

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
15
Rotatable bonds
7
Heavy atoms
45

Related reactions

1 records
New reaction record

Compound notes

Loading…