7-methoxy-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
7-methoxy-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
7-methoxy-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0221 |
| Compound Name: | 7-methoxy-3-[3-(propylsulfanyl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CCCSCCCN1C=Nc2c3ccc(cc3[nH]c2C1=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8176 |
| logD: | 2.8176 |
| logSw: | -3.3979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.091 |
| InChI Key: | BTTCOFWRXQNLOD-UHFFFAOYSA-N |