Basic information
- CAS
134282-95-4- Standard SMILES
Cc1c(CC(=O)NCCN2C(=O)CN=C(c3ccccc3F)c3cc(Cl)ccc32)c(=O)oc2cc(N)ccc12- InChIKey
AZOZLZMIQMTYQK-UHFFFAOYSA-N- Molecular formula
- C29H24ClFN4O4
- Average molar mass
- 547 g/mol
- Monoisotopic mass
- 546.1470111
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ro7-Amca
- IUPAC
- 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]acetamide
- English name
- Ro7-AMCA
- Molecular formula
- C29H24ClFN4O4
- Molecular weight
- 546.98
Names & synonyms
Ro7-Amca134282-95-4DTXSID301586247-Chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one-1-(2-amidoethyl)-7-amino-4-methylcoumarin-3-acetateRefChem:179718DTXCID20811152-(7-Amino-4-Methyl-2-Oxochromen-3-yl-N-[2-[7-Chloro-5-(2-Fluorophenyl)-2-Oxo-3H-1,4-Benzodiazepin-1-Yl]Ethyl]Acetamide2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]acetamide2-(7-Amino-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-{2-[7-chloro-5-(2-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]ethyl}acetamide2H-1-Benzopyran-3-acetamide, 7-amino-N-[2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]-4-methyl-2-oxo-
Database identifiers
- CAS
134282-95-4- PubChem CID
- 196867
- DTXSID
DTXSID30158624- Nikkaji
- J1.319.385A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,030
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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