7-tert-butyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0145 |
| Compound Name: | 7-tert-butyl-3-(3-methylbutyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 333.49 |
| Molecular Formula: | C18 H27 N3 O S |
| Smiles: | CC(C)CCN1C(c2c3CCC(Cc3sc2N=N1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6379 |
| logD: | 5.6379 |
| logSw: | -5.3986 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.006 |
| InChI Key: | KACTZCFJZUDBMJ-GFCCVEGCSA-N |