Atf-936
Basic information
- CAS
717103-89-4- Standard SMILES
C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc(OC)c(OCC)c1- InChIKey
IIBRYYCFSIBSFT-UHFFFAOYSA-N- Molecular formula
- C30H30N2O4
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.22055744
Overview
a calcilytic agent; structure in first source
Names & identifiers
- Preferred name
- Atf-936
- IUPAC
- 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
Names & synonyms
SV2NZO0LAUATF-936ATF936717103-89-42(1H)-Quinazolinone, 1-((3-ethoxy-4-methoxyphenyl)methyl)-4-(4-(1-methylethyl)phenyl)-6-(2-propyn-1-yloxy)-2(1H)-Quinazolinone, 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-RefChem:1154111-(phenylmethyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-oneUNII-SV2NZO0LAUCHEMBL597800SCHEMBL3178576SCHEMBL29533505
Show more names
BDBM50308090DB-0878251-(3-Ethoxy-4-methoxy-benzyl)-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one1-[(3-Ethoxy-4-methoxyphenyl)methyl]-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone
Database identifiers
- CAS
717103-89-4- PubChem CID
- 44201334
- ChEMBL
CHEMBL597800- UNII
- SV2NZO0LAU
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…