methyl 5-({[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | 5504-0186 |
| Compound Name: | methyl 5-({[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CC1(C)Cc2c(CO1)c(nc1c2c2c(c(ncn2)SCc2ccc(C(=O)OC)o2)s1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.2559 |
| logD: | 5.2557 |
| logSw: | -5.2817 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.041 |
| InChI Key: | LQWILMUIFKLUCP-UHFFFAOYSA-N |