4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
Chemical Structure Depiction of
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
Compound characteristics
| Compound ID: | C664-0105 |
| Compound Name: | 4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C24 H33 N5 O3 S |
| Smiles: | CC1CCN(CCCNC(CCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.6385 |
| logD: | -0.8796 |
| logSw: | -2.474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.094 |
| InChI Key: | OWUKTTHNLZKLFH-UHFFFAOYSA-N |