tert-butyl 2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Chemical Structure Depiction of
tert-butyl 2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
tert-butyl 2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Compound characteristics
| Compound ID: | C200-5188 |
| Compound Name: | tert-butyl 2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate |
| Molecular Weight: | 363.84 |
| Molecular Formula: | C18 H22 Cl N3 O3 |
| Smiles: | CC(C)(C)OC(N1CCC2(CC1)NC(C(c1cccc(c1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5618 |
| logD: | 3.5219 |
| logSw: | -4.1236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.671 |
| InChI Key: | OMPKVTKFTJKSMR-UHFFFAOYSA-N |