(2H-1,3-benzodioxol-5-yl)[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]methanone
(2H-1,3-benzodioxol-5-yl)[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]methanone
Compound characteristics
| Compound ID: | S340-0523 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]methanone |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C20 H18 Br N3 O4 |
| Smiles: | C1CN(CCC12NC(c1ccc(cc1)[Br])=NO2)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0568 |
| logD: | 2.9745 |
| logSw: | -3.391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.456 |
| InChI Key: | FBKVMGADOKNHMR-UHFFFAOYSA-N |