N-[2-(cyclohex-1-en-1-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-(cyclohex-1-en-1-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-(cyclohex-1-en-1-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: | C676-0056 |
| Compound Name: | N-[2-(cyclohex-1-en-1-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: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CC(NCCC3CCCCC=3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.3437 |
| logD: | 2.3436 |
| logSw: | -2.9606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.325 |
| InChI Key: | JUUANDCLAXMHKA-UHFFFAOYSA-N |