5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4920-0754 |
| Compound Name: | 5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(CC=C)C2=O)=S)=O)c(C)n1CCOC |
| Stereo: | ACHIRAL |
| logP: | 1.4353 |
| logD: | 1.4203 |
| logSw: | -2.4621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.604 |
| InChI Key: | UGKHROOPTYBWEM-UHFFFAOYSA-N |