5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5646-0611 |
| Compound Name: | 5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CN1C(C(=C\c2cn(CC(N3CCCCCC3)=O)c3ccccc23)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9974 |
| logD: | 1.5229 |
| logSw: | -2.4984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.333 |
| InChI Key: | YYVPHAIICHYQRH-UHFFFAOYSA-N |