2-(methylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(methylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(methylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0181 |
| Compound Name: | 2-(methylsulfanyl)-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 271.34 |
| Molecular Formula: | C14 H13 N3 O S |
| Smiles: | CSC1=Nc2c3ccccc3[nH]c2C(N1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5468 |
| logD: | 2.5468 |
| logSw: | -2.7684 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.251 |
| InChI Key: | BHTDIDKXJBFGIQ-UHFFFAOYSA-N |