5-(methanesulfonyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0015 |
| Compound Name: | 5-(methanesulfonyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | CS(N1CCC(C(Nc2ccccc2C(N2CCCC2)=O)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3065 |
| logD: | 2.3011 |
| logSw: | -3.0826 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.961 |
| InChI Key: | DZZBXIQNZDQTMN-HXUWFJFHSA-N |