Batebulast
(4-tert-butylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate
| Molecular Formula | C19H29N3O2 |
|---|---|
| Molecular Weight | 331.5 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.7 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.22598 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 81907-78-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N |
| InChIKey | HXLJIJAWKVNQNT-UHFFFAOYSA-N |
📖 Product Overview
Batebulast (CAS: 81907-78-0) is a chemical compound with molecular formula C19H29N3O2 and molecular weight 331.5 g/mol. Its IUPAC systematic name is (4-tert-butylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate.
HXLJIJAWKVNQNT-UHFFFAOYSA-N.
SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N.
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