7-chloro-5-(methanesulfonyl)-N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1300 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 410.87 |
| Molecular Formula: | C18 H19 Cl N2 O5 S |
| Smiles: | COc1cccc(c1)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9475 |
| logD: | 2.9475 |
| logSw: | -3.5896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.188 |
| InChI Key: | USNKBEXCQCCROY-QGZVFWFLSA-N |