methyl 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4-(piperidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4-(piperidin-1-yl)benzoate
methyl 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4-(piperidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 8016-9057 |
| Compound Name: | methyl 3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-4-(piperidin-1-yl)benzoate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | COC(c1ccc(c(c1)NS(c1ccc2c(c1)NC(CO2)=O)(=O)=O)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8496 |
| logD: | 1.6361 |
| logSw: | -3.602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.786 |
| InChI Key: | RFAFQEMEKWVIMG-UHFFFAOYSA-N |