2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0002 |
| Compound Name: | 2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | CCCCN1C(C(=C2/C(N3C(=NC(C(Cc4ccc(C)cc4)=N3)=O)S2)=O)/c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0557 |
| logD: | 4.0557 |
| logSw: | -4.1111 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.271 |
| InChI Key: | DNHCWBYXQFHCNY-UHFFFAOYSA-N |