3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,2,3,5,7,8,9,10-octahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,2,3,5,7,8,9,10-octahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,2,3,5,7,8,9,10-octahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C793-0203 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-1,2,3,5,7,8,9,10-octahydro-4H-[1]benzothieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 405.9 |
| Molecular Formula: | C18 H13 Cl F N3 O S2 |
| Smiles: | C1CCc2c(C1)c1c3c(C(N(C(N3)=S)c3ccc(c(c3)[Cl])F)=O)[nH]c1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.4264 |
| logD: | 4.138 |
| logSw: | -4.6528 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.975 |
| InChI Key: | KZCORDCOYGDQPJ-UHFFFAOYSA-N |