1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(3-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(3-methoxyphenyl)propan-1-one
1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(3-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S340-0059 |
| Compound Name: | 1-[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl]-3-(3-methoxyphenyl)propan-1-one |
| Molecular Weight: | 458.35 |
| Molecular Formula: | C22 H24 Br N3 O3 |
| Smiles: | COc1cccc(CCC(N2CCC3(CC2)NC(c2cccc(c2)[Br])=NO3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7435 |
| logD: | 3.668 |
| logSw: | -4.0227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.357 |
| InChI Key: | LTAJYDICSIDROG-UHFFFAOYSA-N |