Basic information
- Standard SMILES
CS(=O)(=O)N1CCN(C(=O)c2cc3cc(C(=O)N4CCCN(C5CCOCC5)CC4)ccc3[nH]2)CC1- InChIKey
QMQJIESYNSGMFH-UHFFFAOYSA-N- Molecular formula
- C25H35N5O5S
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- (4-Methanesulfonyl-piperazin-1-yl)-{5-[4-(tetrahydro-pyran-4-yl)-[1,4]diazepane-1-carbonyl]-1H-indol-2-yl}-methanone
- IUPAC
- [2-(4-methylsulfonylpiperazine-1-carbonyl)-1H-indol-5-yl]-[4-(oxan-4-yl)-1,4-diazepan-1-yl]methanone
Names & synonyms
SCHEMBL3160810QMQJIESYNSGMFH-UHFFFAOYSA-N(4-Methanesulfonyl-piperazin-1-yl)-{5-[4-(tetrahydro-pyran-4-yl)-[1,4]diazepane-1-carbonyl]-1H-indol-2-yl}-methanone
Database identifiers
- PubChem CID
- 68534110
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 897
Related reactions
2 records
Compound notes
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