Basic information
- Standard SMILES
C[C@@H]1CCc2ncnc(N3CCN(C(=O)N(CCNC(=O)OC(C)(C)C)Cc4ccc(Cl)cc4)CC3)c21- InChIKey
NRIJMGTVUFGSED-LJQANCHMSA-N- Molecular formula
- C27H37ClN6O3
- Average molar mass
- 529.1 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 2-(N-(4-chlorobenzyl)-4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamido)ethylcarbamate
- IUPAC
- tert-butyl N-[2-[(4-chlorophenyl)methyl-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carbonyl]amino]ethyl]carbamate
Names & synonyms
SCHEMBL1723435NRIJMGTVUFGSED-LJQANCHMSA-N(R)-tert-butyl 2-(N-(4-chlorobenzyl)-4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-y1)piperazine-1-carboxamido)ethylcarbamate(R)-tert-butyl 2-(N-(4-chlorobenzyl)-4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxamido)ethylcarbamate
Database identifiers
- PubChem CID
- 67134584
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 764
Related reactions
4 records
Compound notes
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