3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V003-2809 |
| Compound Name: | 3-chloro-N-{2-ethyl-4-[2-(2-methoxyphenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C26 H27 Cl N2 O5 S |
| Smiles: | CCC1C(N(CCc2ccccc2OC)Cc2cc(ccc2O1)NS(c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2641 |
| logD: | 5.2227 |
| logSw: | -5.5522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.034 |
| InChI Key: | WWUUCZKCNBVMEZ-HSZRJFAPSA-N |