N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F821-0136 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | COc1cccc(CNC(C2CCCN(C2)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2918 |
| logD: | 1.2915 |
| logSw: | -2.4282 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.11 |
| InChI Key: | DPKYMBNZGIEMEQ-INIZCTEOSA-N |