8'-bromo-9'-(methoxymethyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one
Chemical Structure Depiction of
8'-bromo-9'-(methoxymethyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one
8'-bromo-9'-(methoxymethyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one
Compound characteristics
| Compound ID: | D149-0214 |
| Compound Name: | 8'-bromo-9'-(methoxymethyl)-7'-methyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one |
| Molecular Weight: | 410.33 |
| Molecular Formula: | C17 H20 Br N3 O2 S |
| Smiles: | Cc1c(c(COC)c2c3c(C(NC4(CCCCC4)N3)=O)sc2n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3922 |
| logD: | 3.3921 |
| logSw: | -3.9371 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.211 |
| InChI Key: | KYUAIGGNTIAGPA-UHFFFAOYSA-N |