3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8018-1148 |
| Compound Name: | 3-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]amino}-2-butyl-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 543.44 |
| Molecular Formula: | C24 H23 Br N4 O4 S |
| Smiles: | CCCCC1=Nc2c3c(COC)cc(C)nc3sc2C(N1/N=C/c1cc2c(cc1[Br])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7666 |
| logD: | 4.7654 |
| logSw: | -4.8664 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.707 |
| InChI Key: | JRXABIXAXHNBAJ-UHFFFAOYSA-N |