3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0647 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-2,4-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C23 H33 N5 O5 S |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cc(ccc12)S(NCCN1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3924 |
| logD: | 0.2222 |
| logSw: | -2.6713 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.976 |
| InChI Key: | NRJDNHLVBXRMIN-UHFFFAOYSA-N |