5-(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]pentanamide
Chemical Structure Depiction of
5-(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]pentanamide
5-(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]pentanamide
Compound characteristics
| Compound ID: | C675-0095 |
| Compound Name: | 5-(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]pentanamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C25 H35 N5 O3 S |
| Smiles: | CC1CCN(CCCNC(CCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.1527 |
| logD: | -0.3655 |
| logSw: | -2.8902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.094 |
| InChI Key: | MRPZCBWOTJRNOG-UHFFFAOYSA-N |