ethyl 3-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate
ethyl 3-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F821-0051 |
| Compound Name: | ethyl 3-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | CCOC(c1cccc(c1)NC(C1CCCN(C1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2876 |
| logD: | 2.2874 |
| logSw: | -2.9573 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.998 |
| InChI Key: | RPDUHBSADJFKDI-INIZCTEOSA-N |