3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
Chemical Structure Depiction of
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
Compound characteristics
| Compound ID: | C661-0054 |
| Compound Name: | 3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCC(NCCc3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.1322 |
| logD: | 2.1321 |
| logSw: | -2.9848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.111 |
| InChI Key: | MAMIYRKFBFRMHP-UHFFFAOYSA-N |