6-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]hexanamide
Chemical Structure Depiction of
6-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]hexanamide
6-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | C241-1998 |
| Compound Name: | 6-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-fluorophenyl)methyl]hexanamide |
| Molecular Weight: | 554.68 |
| Molecular Formula: | C29 H35 F N4 O4 S |
| Smiles: | C(CCC(NCc1ccc(cc1)F)=O)CCN1C(c2c(ccs2)N(CC(NCCC2CCCCC=2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7251 |
| logD: | 3.7251 |
| logSw: | -3.9076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.24 |
| InChI Key: | WASOOXQMAIHFRQ-UHFFFAOYSA-N |