N-[(2-bromophenyl)methyl]-8-(methanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-8-(methanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
N-[(2-bromophenyl)methyl]-8-(methanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | G016-0707 |
| Compound Name: | N-[(2-bromophenyl)methyl]-8-(methanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C18 H21 Br N2 O5 S |
| Smiles: | CC1=C(C(NCc2ccccc2[Br])=O)C2(CCN(CC2)S(C)(=O)=O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 2.1253 |
| logD: | 2.1253 |
| logSw: | -2.5749 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.76 |
| InChI Key: | NWNAXMZGBHOCKI-UHFFFAOYSA-N |