N-(5-chloro-2-methylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
N-(5-chloro-2-methylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F633-0036 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1NC(C1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.345 |
| logD: | 2.3438 |
| logSw: | -3.3367 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.613 |
| InChI Key: | IPFSIXHBVHNUPB-UHFFFAOYSA-N |