Basic information
- Standard SMILES
Cc1nc(-c2cn3c(n2)-c2cc(SC4CCN(C(C)C)CC4)c(C)cc2OCC3)n(C(C)C)n1- InChIKey
NNLJUQXJXAPMRC-UHFFFAOYSA-N- Molecular formula
- C26H36N6OS
- Average molar mass
- 480.7 g/mol
Names & identifiers
- Preferred name
- 2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-9-(1-isopropylpiperidin-4-ylsulfanyl)-8-methyl-4,5-dihydro-6-oxa-1,3a-diazabenzo[e]azulene
- IUPAC
- 9-methyl-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-10-(1-propan-2-ylpiperidin-4-yl)sulfanyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Names & synonyms
SCHEMBL12539829NNLJUQXJXAPMRC-UHFFFAOYSA-N2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-9-(1-isopropylpiperidin-4-ylsulfanyl)-8-methyl-4,5-dihydro-6-oxa-1,3a-diazabenzo[e]azulene
Database identifiers
- PubChem CID
- 68313228
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 674
Related reactions
2 records
Compound notes
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