methyl 4-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
methyl 4-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 5629-0990 |
| Compound Name: | methyl 4-{[2-(4-butoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCCCC)n2)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6143 |
| logD: | 5.6143 |
| logSw: | -5.3917 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.787 |
| InChI Key: | JGXVNCFCVBSVGV-UHFFFAOYSA-N |