2-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Chemical Structure Depiction of
2-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
2-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | 4428-0026 |
| Compound Name: | 2-[5-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | CCCCN1C(C(=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)/c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.921 |
| logD: | 3.921 |
| logSw: | -4.0138 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.752 |
| InChI Key: | MQBWXEUSCWBCOU-UHFFFAOYSA-N |