3-butyl-9-(methoxymethyl)-7-methyl-2-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-butyl-9-(methoxymethyl)-7-methyl-2-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-butyl-9-(methoxymethyl)-7-methyl-2-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-6815 |
| Compound Name: | 3-butyl-9-(methoxymethyl)-7-methyl-2-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCCCN1C(c2ccccc2[N+]([O-])=O)=Nc2c3c(COC)cc(C)nc3sc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2282 |
| logD: | 4.2282 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.379 |
| InChI Key: | FEQXOIBJJUJRIN-UHFFFAOYSA-N |