2-{4-[(butane-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
Chemical Structure Depiction of
2-{4-[(butane-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
2-{4-[(butane-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
Compound characteristics
| Compound ID: | 5044-0032 |
| Compound Name: | 2-{4-[(butane-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C16 H24 N4 O4 S |
| Smiles: | CCCCS(N=C1NCN(CCOC(c2ccccc2)=O)CN1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7518 |
| logD: | 1.4644 |
| logSw: | -2.3473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.652 |
| InChI Key: | PCLXGHMBISSCSE-UHFFFAOYSA-N |