8-methoxy-3-[5-oxo-5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-[5-oxo-5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-[5-oxo-5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C675-0146 |
| Compound Name: | 8-methoxy-3-[5-oxo-5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCCC(N3CCN(CC3)c3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.9592 |
| logD: | 2.959 |
| logSw: | -3.5078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.451 |
| InChI Key: | NAOOUYQPEZQYIF-UHFFFAOYSA-N |