N-(1-butyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-(1-butyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-(1-butyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0831 |
| Compound Name: | N-(1-butyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C20 H25 N5 O5 S |
| Smiles: | CCCCn1cc(cn1)NC(C1=CC(c2ccc(c(c2)OC)OC)=NS(N1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9512 |
| logD: | 0.0945 |
| logSw: | -2.8202 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.335 |
| InChI Key: | PHBGDUCJNSAIPY-UHFFFAOYSA-N |