3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-phenylpropanoic acid
Chemical Structure Depiction of
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-phenylpropanoic acid
3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-phenylpropanoic acid
Compound characteristics
| Compound ID: | E992-0384 |
| Compound Name: | 3-[(4-acetyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]-3-phenylpropanoic acid |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CC1CN(C(C)=O)c2cc(ccc2O1)S(NC(CC(O)=O)c1ccccc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2457 |
| logD: | -0.5552 |
| logSw: | -2.8411 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.325 |
| InChI Key: | HCPRYXIZRKSNQG-UHFFFAOYSA-N |