4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-[(pyridin-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-[(pyridin-2-yl)methyl]cyclohexane-1-carboxamide
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-[(pyridin-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | E589-0221 |
| Compound Name: | 4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-[(pyridin-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C24 H30 N4 O5 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(NCC1CCC(CC1)C(NCc1ccccn1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1713 |
| logD: | 2.1712 |
| logSw: | -2.7408 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.149 |
| InChI Key: | YNNRIIFPPKWKCD-UHFFFAOYSA-N |