3-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4215-0123 |
| Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C18 H16 Br N3 O2 S |
| Smiles: | COc1ccc(/C=N/N2C=Nc3c(C2=O)c2CCCCc2s3)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7742 |
| logD: | 3.772 |
| logSw: | -4.331 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.667 |
| InChI Key: | BTBUOSRATUXDPN-UHFFFAOYSA-N |