methyl 4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate
methyl 4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | C451-0231 |
| Compound Name: | methyl 4-({3,7-dioxo-6-[(4-propoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene}methyl)benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | CCCOc1ccc(CC2C(N=C3N(C(/C(=C\c4ccc(cc4)C(=O)OC)S3)=O)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1625 |
| logD: | 4.1625 |
| logSw: | -4.1792 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.143 |
| InChI Key: | UGNOQXNICKJRNF-UHFFFAOYSA-N |