1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide
1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C675-0141 |
| Compound Name: | 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(N3CCC(CC3)C(N)=O)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 0.7035 |
| logD: | 0.7034 |
| logSw: | -2.2372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.25 |
| InChI Key: | IRMGXERIECXIQG-UHFFFAOYSA-N |