N-[2-(1H-indol-3-yl)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-(1H-indol-3-yl)ethyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[2-(1H-indol-3-yl)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: | C676-0171 |
| Compound Name: | N-[2-(1H-indol-3-yl)ethyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CC(NCCc3c[nH]c4ccccc34)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.3244 |
| logD: | 2.3244 |
| logSw: | -3.03 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 77.004 |
| InChI Key: | FTJGGIPHTHFZRJ-UHFFFAOYSA-N |