5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]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-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
Compound characteristics
| Compound ID: | C675-0099 |
| Compound Name: | 5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C24 H33 N5 O3 S |
| Smiles: | CC1CCN(CC1)CCNC(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0295 |
| logD: | 0.4389 |
| logSw: | -2.8522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.094 |
| InChI Key: | XAKDJONMYNIALV-UHFFFAOYSA-N |