N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | C676-0068 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CC(NCCc3ccc(c(c3)OC)OC)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.4903 |
| logD: | 1.4902 |
| logSw: | -2.5454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.394 |
| InChI Key: | ASNHSZIUIBOTEQ-UHFFFAOYSA-N |