propyl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Chemical Structure Depiction of
propyl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
propyl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | D243-0340 |
| Compound Name: | propyl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCCOC(c1ccc(CN2C(c3c4CCC(C)Cc4sc3N=N2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5032 |
| logD: | 5.5032 |
| logSw: | -5.554 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.803 |
| InChI Key: | ASBVPISWDMDXNM-CYBMUJFWSA-N |