N-benzyl-3-(4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-benzyl-3-(4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-benzyl-3-(4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | C200-2284 |
| Compound Name: | N-benzyl-3-(4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | C(CN1C(c2c(c3ccccc3[nH]2)NC1=S)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3184 |
| logD: | 2.3179 |
| logSw: | -2.8492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.726 |
| InChI Key: | YDOJZQBENIKHQX-UHFFFAOYSA-N |