N-cycloheptyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
Chemical Structure Depiction of
N-cycloheptyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
N-cycloheptyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
Compound characteristics
| Compound ID: | C200-1964 |
| Compound Name: | N-cycloheptyl-5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide |
| Molecular Weight: | 429.6 |
| Molecular Formula: | C22 H27 N3 O2 S2 |
| Smiles: | C1CCCC(CC1)NC(CCCCN1C(c2c(c3ccccc3s2)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2474 |
| logD: | 4.2469 |
| logSw: | -4.1339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.319 |
| InChI Key: | XAVJOQVVUUNZHV-UHFFFAOYSA-N |