1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E557-2403 |
| Compound Name: | 1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 463.57 |
| Molecular Formula: | C21 H25 N3 O5 S2 |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N1CCC(CC1)C(NCc1cccs1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8312 |
| logD: | 1.8312 |
| logSw: | -2.5764 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.385 |
| InChI Key: | UPOPYQWFTOQTIM-UHFFFAOYSA-N |