ethyl 4-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}piperidine-1-carboxylate
ethyl 4-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K906-3943 |
| Compound Name: | ethyl 4-{[N-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-methylglycyl]amino}piperidine-1-carboxylate |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C19 H25 Cl N4 O7 S |
| Smiles: | CCOC(N1CCC(CC1)NC(CN(C)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7708 |
| logD: | 0.7122 |
| logSw: | -2.8888 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.05 |
| InChI Key: | CIIQHVZBSBBMGB-UHFFFAOYSA-N |