N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[(4-chlorophenyl)methyl]-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: | C676-0067 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C20 H17 Cl N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CC(NCc3ccc(cc3)[Cl])=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | 2.7932 |
| logSw: | -3.5638 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.291 |
| InChI Key: | KGNXKTNEOHUWGX-UHFFFAOYSA-N |