7-tert-butyl-3-[(4-nitrophenyl)methyl]-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-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
7-tert-butyl-3-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0154 |
| Compound Name: | 7-tert-butyl-3-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccc(cc4)[N+]([O-])=O)N=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.439 |
| logD: | 5.439 |
| logSw: | -5.4467 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.137 |
| InChI Key: | IIAGIBZTWFZKJQ-CYBMUJFWSA-N |