6-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
6-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K292-1157 |
| Compound Name: | 6-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]hexanamide |
| Molecular Weight: | 566.79 |
| Molecular Formula: | C30 H38 N4 O3 S2 |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC(NCCC2CCCCC=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5361 |
| logD: | 4.5361 |
| logSw: | -4.0565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.744 |
| InChI Key: | LZPATSZXEBSWOT-UHFFFAOYSA-N |