3-(4-ethoxyphenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-ethoxyphenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1111 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-[(propan-2-yl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.3942 |
| logD: | 4.3942 |
| logSw: | -4.1801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.513 |
| InChI Key: | BLUVHWUJHVFBGB-UHFFFAOYSA-N |