ethyl 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate
ethyl 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C675-0174 |
| Compound Name: | ethyl 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C24 H30 N4 O5 S |
| Smiles: | CCOC(C1CCN(CC1)C(CCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2365 |
| logD: | 2.2364 |
| logSw: | -2.9286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.945 |
| InChI Key: | VDSLASMPUCJWND-UHFFFAOYSA-N |