N-cyclohexyl-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-cyclohexyl-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-cyclohexyl-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | C200-2010 |
| Compound Name: | N-cyclohexyl-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 548.73 |
| Molecular Formula: | C29 H32 N4 O3 S2 |
| Smiles: | Cc1cccc(c1)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCC(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1315 |
| logD: | 5.1315 |
| logSw: | -5.1335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.59 |
| InChI Key: | CFDCPRHKDRSOJY-UHFFFAOYSA-N |