8-methoxy-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C661-0192 |
| Compound Name: | 8-methoxy-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5427 |
| logD: | 2.5423 |
| logSw: | -3.0478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.995 |
| InChI Key: | RJJFSDPXERVUKE-UHFFFAOYSA-N |