N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | J049-2112 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CC(C)CN1C(C)=NS(c2cc(ccc12)C(NCCC1CCCCC=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4466 |
| logD: | 3.4466 |
| logSw: | -3.8852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.046 |
| InChI Key: | YMGKOKJIRBRMNL-UHFFFAOYSA-N |