methyl 4-[(11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonyl)amino]benzoate
methyl 4-[(11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | P619-0240 |
| Compound Name: | methyl 4-[(11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonyl)amino]benzoate |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C21 H17 N3 O6 S |
| Smiles: | CN1C(c2cc(ccc2Oc2cccnc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9915 |
| logD: | 2.9057 |
| logSw: | -3.7086 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.757 |
| InChI Key: | FICFLCRUULWFFH-UHFFFAOYSA-N |