propyl 3-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
propyl 3-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
propyl 3-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D243-0252 |
| Compound Name: | propyl 3-[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCCOC(c1cccc(c1)NC(CN1C(c2c3CCC(Cc3sc2N=N1)C(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3853 |
| logD: | 6.3853 |
| logSw: | -5.5207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.953 |
| InChI Key: | BWXHMBOHKZQRSN-MRXNPFEDSA-N |