8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol
Chemical Structure Depiction of
8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol
8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol
Compound characteristics
| Compound ID: | 4138-0080 |
| Compound Name: | 8-methoxy-5H-pyrimido[5,4-b]indole-4-thiol |
| Molecular Weight: | 231.27 |
| Molecular Formula: | C11 H9 N3 O S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)S)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.9145 |
| logD: | 1.6907 |
| logSw: | -2.3844 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.753 |
| InChI Key: | NRHNFEIOZFBUID-UHFFFAOYSA-N |