3-butyl-7-phenyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
3-butyl-7-phenyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
3-butyl-7-phenyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C200-6537 |
| Compound Name: | 3-butyl-7-phenyl-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 299.39 |
| Molecular Formula: | C16 H17 N3 O S |
| Smiles: | CCCCN1C(c2c(c(c[nH]2)c2ccccc2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5184 |
| logD: | 3.5183 |
| logSw: | -3.7192 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.061 |
| InChI Key: | WRDPHVHKOKKWFA-UHFFFAOYSA-N |