Basic information
- Standard SMILES
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=CCN(CCSC(C)=O)CC(=O)OC(C)(C)C- InChIKey
QVTYUNDJBZIXDC-UHFFFAOYSA-N- Molecular formula
- C29H34BrN5O5S
- Average molar mass
- 644.6 g/mol
Names & identifiers
- Preferred name
- 4-[(3-Bromophenyl)amino]-6-[(4-{N-[(tert-butyloxycarbonyl)methyl]-N-[2-(acetylsulphanyl)ethyl]amino)-1-oxo-2-buten-1-yl)-amino]-7-methoxy-quinazoline
- IUPAC
- tert-butyl 2-[2-acetylsulfanylethyl-[4-[[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxobut-2-enyl]amino]acetate
Names & synonyms
SCHEMBL1418663QVTYUNDJBZIXDC-UHFFFAOYSA-N4-[(3-Bromophenyl)amino]-6-[(4-{N-[(tert-butyloxycarbonyl)methyl]-N-[2-(acetylsulphanyl)ethyl]amino)-1-oxo-2-buten-1-yl)-amino]-7-methoxy-quinazoline
Database identifiers
- PubChem CID
- 73879451
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 903
Related reactions
2 records
Compound notes
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