9-(methoxymethyl)-7-methyl-3-(3-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-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
9-(methoxymethyl)-7-methyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D148-0061 |
| Compound Name: | 9-(methoxymethyl)-7-methyl-3-(3-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(c4cccc(c4)[N+]([O-])=O)N=N3)=O)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3593 |
| logD: | 3.3593 |
| logSw: | -3.7541 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.594 |
| InChI Key: | LXGOAPQUMPIIPO-UHFFFAOYSA-N |