3-(3-bromophenyl)-7-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(3-bromophenyl)-7-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(3-bromophenyl)-7-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0022 |
| Compound Name: | 3-(3-bromophenyl)-7-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 486.3 |
| Molecular Formula: | C19 H12 Br N5 O4 S |
| Smiles: | C1N=C2N(CN1c1cccc(c1)[Br])C(/C(=C1C(Nc3ccc(cc\13)[N+]([O-])=O)=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3121 |
| logD: | 4.3074 |
| logSw: | -4.3879 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.131 |
| InChI Key: | ZCRAVBCNRTXDRP-UHFFFAOYSA-N |