2-{4-[(4-acetamidobenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
Chemical Structure Depiction of
2-{4-[(4-acetamidobenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
2-{4-[(4-acetamidobenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate
Compound characteristics
| Compound ID: | 5044-0040 |
| Compound Name: | 2-{4-[(4-acetamidobenzene-1-sulfonyl)imino]-1,3,5-triazinan-1-yl}ethyl benzoate |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H23 N5 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(N=C1NCN(CCOC(c2ccccc2)=O)CN1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4116 |
| logD: | 1.3654 |
| logSw: | -2.3559 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.015 |
| InChI Key: | HBPHOVMLGLNVIU-UHFFFAOYSA-N |