N-(4-butylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(4-butylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(4-butylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1392 |
| Compound Name: | N-(4-butylphenyl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C21 H25 Cl N2 O4 S |
| Smiles: | CCCCc1ccc(cc1)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8503 |
| logD: | 4.8503 |
| logSw: | -4.7684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | VDWHVSGULKQLHN-HXUWFJFHSA-N |