8,8-dimethyl-4-[(2-phenylethyl)sulfanyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Chemical Structure Depiction of
8,8-dimethyl-4-[(2-phenylethyl)sulfanyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
8,8-dimethyl-4-[(2-phenylethyl)sulfanyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | F081-1418 |
| Compound Name: | 8,8-dimethyl-4-[(2-phenylethyl)sulfanyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCCc3ccccc3)oc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.7912 |
| logD: | 4.7902 |
| logSw: | -4.8184 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.72 |
| InChI Key: | PDFIDGQICFCOMO-UHFFFAOYSA-N |