3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0435 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclopentyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C22 H30 N4 O5 S |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cc(ccc12)S(NC1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2522 |
| logD: | 2.252 |
| logSw: | -3.115 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.091 |
| InChI Key: | IHKXGICSQPWNQK-UHFFFAOYSA-N |