YM 13650
Basic information
- CAS
87545-58-2- Standard SMILES
O=C(O)CC(=O)Oc1cccc(-c2cn3c(n2)sc2ccccc23)c1- InChIKey
DNWBCBXQFVFCFB-UHFFFAOYSA-N- Molecular formula
- C18H12N2O4S
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.05177804
Overview
structure given in first source; RN from Toxlit
Names & identifiers
- Preferred name
- YM 13650
- IUPAC
- 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid
Names & synonyms
87545-58-2YM 13650YM-13650RefChem:1956592-(3-Carboxyacetoxyphenyl)imidazo(2,1-b)benzothiazole3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acidorb1694738SCHEMBL10802834SCHEMBL30674280DNWBCBXQFVFCFB-UHFFFAOYSA-NDTXSID001007627AKOS040754523
Show more names
T352552-(m-carboxyacetoxyphenyl)imidazo[2,1-b]benzothiazole3-(3-(Benzo[d]imidazo[2,1-b]thiazol-2-yl)phenoxy)-3-oxopropanoic acid3-[3-(Imidazo[2,1-b][1,3]benzothiazol-2-yl)phenoxy]-3-oxopropanoic acid
Database identifiers
- CAS
87545-58-2- PubChem CID
- 137307
- DTXSID
DTXSID001007627- Nikkaji
- J357.103C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
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Related reactions
2 records
Compound notes
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