3-hexyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-hexyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-hexyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F081-0820 |
| Compound Name: | 3-hexyl-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | CCCCCCN1C(C)=Nc2c3cc4COC(C)(C)Cc4nc3sc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.1842 |
| logD: | 5.1841 |
| logSw: | -4.9028 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.222 |
| InChI Key: | LMECKKXNTSTHSI-UHFFFAOYSA-N |