N-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C648-0333 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-N~3~-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CN1C(c2cc(ccc2N(C)C1=O)S(NCCC(NCCC1CCCCC=1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5927 |
| logD: | 1.5924 |
| logSw: | -2.7302 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.446 |
| InChI Key: | DEEVGGPAHIWYSM-UHFFFAOYSA-N |