ethyl 4-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate
ethyl 4-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C664-0154 |
| Compound Name: | ethyl 4-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3475 |
| logD: | 1.3474 |
| logSw: | -2.4365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.971 |
| InChI Key: | IGKYCFUHZGFXPD-UHFFFAOYSA-N |