methyl (4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbamate
Chemical Structure Depiction of
methyl (4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbamate
methyl (4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbamate
Compound characteristics
Compound ID: | V030-3484 |
Compound Name: | methyl (4-butyl-1,1-dioxo-3-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)carbamate |
Molecular Weight: | 353.44 |
Molecular Formula: | C16 H23 N3 O4 S |
Smiles: | CCCCN1C(CCC)=NS(c2cc(ccc12)NC(=O)OC)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3925 |
logD: | 3.3888 |
logSw: | -3.8525 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.533 |
InChI Key: | NPERVVAIPAKJFM-UHFFFAOYSA-N |