N-(4-butylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(4-butylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(4-butylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0646 |
| Compound Name: | N-(4-butylphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CCCCc1ccc(cc1)NC(C1CCN(c2cc(C)ccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7256 |
| logD: | 4.7256 |
| logSw: | -4.4752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | WGBNFCGJQWYKRL-OAQYLSRUSA-N |