8-methoxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C676-0218 |
| Compound Name: | 8-methoxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(CN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2924 |
| logD: | 2.2923 |
| logSw: | -3.035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.017 |
| InChI Key: | YPAJTQZAPHUQMR-UHFFFAOYSA-N |