N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide
Compound characteristics
| Compound ID: | C200-2611 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)pentanamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCCCN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6772 |
| logD: | 2.6771 |
| logSw: | -3.2447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.285 |
| InChI Key: | NKLTWBREDWCVPJ-UHFFFAOYSA-N |