2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
Chemical Structure Depiction of
2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
Compound characteristics
Compound ID: | 2812-0087 |
Compound Name: | 2-{4-[(4-methylbenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate |
Molecular Weight: | 402.47 |
Molecular Formula: | C19 H22 N4 O4 S |
Smiles: | Cc1ccc(cc1)S(N=C1NCN(CCOC(c2ccccc2)=O)CN1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6338 |
logD: | 2.5877 |
logSw: | -2.9259 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.753 |
InChI Key: | GEFUEZFPBVDOQE-UHFFFAOYSA-N |