8-chloro-7,9-dimethyl-3-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
8-chloro-7,9-dimethyl-3-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
8-chloro-7,9-dimethyl-3-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | 8015-0001 |
| Compound Name: | 8-chloro-7,9-dimethyl-3-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 387.8 |
| Molecular Formula: | C16 H10 Cl N5 O3 S |
| Smiles: | Cc1c(c(C)nc2c1c1c(C(N(c3ccc(cc3)[N+]([O-])=O)N=N1)=O)s2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6072 |
| logD: | 4.6072 |
| logSw: | -4.8921 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.94 |
| InChI Key: | YTODDJPXAHPJBK-UHFFFAOYSA-N |