N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]thiophene-2-carboxamide
N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V027-2729 |
| Compound Name: | N-[4-butyl-3-(furan-2-yl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl]thiophene-2-carboxamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C20 H19 N3 O4 S2 |
| Smiles: | CCCCN1C(c2ccco2)=NS(c2cc(ccc12)NC(c1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1208 |
| logD: | 4.12 |
| logSw: | -3.9817 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.23 |
| InChI Key: | SHPPBJVEWFTQOR-UHFFFAOYSA-N |