N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4408-0018 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3621 |
| logD: | 4.3621 |
| logSw: | -4.4614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.537 |
| InChI Key: | HOCQBBFSEOFONT-UHFFFAOYSA-N |