3-(3-chloro-4-fluorophenyl)-7,8-dimethyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-7,8-dimethyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
3-(3-chloro-4-fluorophenyl)-7,8-dimethyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C793-0206 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-7,8-dimethyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-thieno[3',2':4,5]pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 379.86 |
| Molecular Formula: | C16 H11 Cl F N3 O S2 |
| Smiles: | Cc1c2c3c(C(N(C(N3)=S)c3ccc(c(c3)[Cl])F)=O)[nH]c2sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9688 |
| logD: | 3.6703 |
| logSw: | -4.3907 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.054 |
| InChI Key: | GMMFTUMFEYNKHF-UHFFFAOYSA-N |