ethyl 4-[N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alanyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alanyl]piperazine-1-carboxylate
ethyl 4-[N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alanyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C648-0385 |
| Compound Name: | ethyl 4-[N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl)-beta-alanyl]piperazine-1-carboxylate |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C20 H27 N5 O7 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCNS(c1ccc2c(c1)C(N(C)C(N2C)=O)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4638 |
| logD: | 0.4636 |
| logSw: | -2.5305 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.114 |
| InChI Key: | MTKQFBBSKBYUSX-UHFFFAOYSA-N |