Basic information
- Standard SMILES
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(CCCCO)CC3)cc1- InChIKey
YPAXEWBTIGSMRV-IBGZPJMESA-N- Molecular formula
- C26H38N6O3
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.3005391
Names & identifiers
- Preferred name
- (S)-1-ethyl-3-(4-(7-(4-hydroxybutyl)-4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea
- IUPAC
- 1-ethyl-3-[4-[7-(4-hydroxybutyl)-4-[(3S)-3-methylmorpholin-4-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]phenyl]urea
Names & synonyms
SCHEMBL1829823YPAXEWBTIGSMRV-IBGZPJMESA-N(S)-1-ethyl-3-(4-(7-(4-hydroxybutyl)-4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea
Database identifiers
- PubChem CID
- 59239598
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 647
Related reactions
1 records
Compound notes
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