9-(methoxymethyl)-7-methyl-3-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
9-(methoxymethyl)-7-methyl-3-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
9-(methoxymethyl)-7-methyl-3-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0051 |
| Compound Name: | 9-(methoxymethyl)-7-methyl-3-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 383.38 |
| Molecular Formula: | C17 H13 N5 O4 S |
| Smiles: | Cc1cc(COC)c2c3c(C(N(c4ccccc4[N+]([O-])=O)N=N3)=O)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3276 |
| logD: | 3.3276 |
| logSw: | -3.9585 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.992 |
| InChI Key: | YOEBMLWOVJETGS-UHFFFAOYSA-N |