1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-2-(thiophen-3-yl)ethan-1-one
1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S340-0043 |
| Compound Name: | 1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C18 H18 Br N3 O2 S |
| Smiles: | C(C(N1CCC2(CC1)NC(c1cccc(c1)[Br])=NO2)=O)c1ccsc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1867 |
| logD: | 3.1112 |
| logSw: | -3.4006 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.831 |
| InChI Key: | XHYRWOJJAFNDII-UHFFFAOYSA-N |