8-{[(4-bromophenyl)methyl]sulfanyl}-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
8-{[(4-bromophenyl)methyl]sulfanyl}-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8-{[(4-bromophenyl)methyl]sulfanyl}-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | 8640-0667 |
| Compound Name: | 8-{[(4-bromophenyl)methyl]sulfanyl}-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
| Molecular Weight: | 486.45 |
| Molecular Formula: | C22 H20 Br N3 O S2 |
| Smiles: | Cc1c2COC(C)(C)Cc2c2c3c(c(ncn3)SCc3ccc(cc3)[Br])sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1864 |
| logD: | 6.1864 |
| logSw: | -6.027 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.309 |
| InChI Key: | SMXJCOSTQFSDBJ-UHFFFAOYSA-N |