N-(5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(methoxymethyl)benzamide
Basic information
- CAS
439575-07-2- Standard SMILES
COCc1ccc(C(=O)Nc2ncc(Sc3cc(C(=O)N4CCN(C(C)=O)CC4)c(OC)cc3C)s2)cc1- InChIKey
NQJICWCKADTPEW-UHFFFAOYSA-N- Molecular formula
- C27H30N4O5S2
- Average molar mass
- 554.7 g/mol
- Monoisotopic mass
- 554.16576242
Names & identifiers
- Preferred name
- N-(5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(methoxymethyl)benzamide
- IUPAC
- N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-(methoxymethyl)benzamide
Names & synonyms
CHEMBL211291SCHEMBL14460656DTXSID501107107BDBM50186470439575-07-2N-(5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(methoxymethyl)benzamideN-[5-[[5-[(4-Acetyl-1-piperazinyl)carbonyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-(methoxymethyl)benzamide
Database identifiers
- CAS
439575-07-2- PubChem CID
- 20635530
- DTXSID
DTXSID501107107- ChEMBL
CHEMBL211291
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 819
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…