Basic information
- Standard SMILES
COC(=O)NCc1cc(-c2ccnc(-c3ccc(C)cc3)n2)ccc1Cl- InChIKey
YOCRYXBDBUHXAF-UHFFFAOYSA-N- Molecular formula
- C20H18ClN3O2
- Average molar mass
- 367.8 g/mol
Names & identifiers
- Preferred name
- methyl N-[[2-chloro-5-[2-(4-methylphenyl)-4-pyrimidinyl]phenyl]methyl]-carbamate
- IUPAC
- methyl N-[[2-chloro-5-[2-(4-methylphenyl)pyrimidin-4-yl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL3324224YOCRYXBDBUHXAF-UHFFFAOYSA-Nmethyl N-[[2-chloro-5-[2-(4-methylphenyl)-4-pyrimidinyl]phenyl]methyl]-carbamate
Database identifiers
- PubChem CID
- 68596066
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Related reactions
2 records
Compound notes
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