2,4-dioxo-6-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-7-carbonitrile
Chemical Structure Depiction of
2,4-dioxo-6-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-7-carbonitrile
2,4-dioxo-6-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-7-carbonitrile
Compound characteristics
| Compound ID: | 8019-3363 |
| Compound Name: | 2,4-dioxo-6-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-7-carbonitrile |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C13 H14 N4 O2 S2 |
| Smiles: | C1CCN(C1)CCSc1c(C#N)c2c(C(NC(N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.1207 |
| logD: | 1.1207 |
| logSw: | -1.9249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.021 |
| InChI Key: | KGTIIUMGVYZGBW-UHFFFAOYSA-N |