Basic information
- Standard SMILES
CC(=O)N1CCN(c2nc(-c3cccc4c3c(C)cn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(Cc2ccccc2)CC3)[C@H](C)C1- InChIKey
DLJKNBPERFEKPQ-HHHXNRCGSA-N- Molecular formula
- C37H40N6O3S
- Average molar mass
- 648.8 g/mol
Names & identifiers
- Preferred name
- (R)-1-(4-(6-benzyl-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperazin-1-yl)ethanone
- IUPAC
- 1-[(3R)-4-[6-benzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL14671894DLJKNBPERFEKPQ-HHHXNRCGSA-N(R)-1-(4-(6-benzyl-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperazin-1-yl)ethanone
Database identifiers
- PubChem CID
- 71244807
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
2 records
Compound notes
Loading…