Basic information
- Standard SMILES
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(S(=O)(=O)CCCCl)CC3)nc1-2- InChIKey
KTDIJPDKVKJIGN-UHFFFAOYSA-N- Molecular formula
- C29H38ClN7O3S
- Average molar mass
- 600.2 g/mol
Names & identifiers
- Preferred name
- 8-({1-[(3-chloropropyl)sulfonyl]piperidin-4-yl}amino)-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
- IUPAC
- 8-[[1-(3-chloropropylsulfonyl)piperidin-4-yl]amino]-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
Names & synonyms
SCHEMBL1560187KTDIJPDKVKJIGN-UHFFFAOYSA-N8-({1-[(3-chloropropyl)sulfonyl]piperidin-4-yl}amino)-N-(2,6-diethylphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
Database identifiers
- PubChem CID
- 44556017
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 964
Related reactions
1 records
Compound notes
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