N-[2-(tert-butylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(tert-butylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(tert-butylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1354 |
| Compound Name: | N-[2-(tert-butylsulfanyl)ethyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 420.98 |
| Molecular Formula: | C17 H25 Cl N2 O4 S2 |
| Smiles: | CC(C)(C)SCCNC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5738 |
| logD: | 2.5738 |
| logSw: | -3.4795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.079 |
| InChI Key: | MQVYFRLVRAAKEY-OAHLLOKOSA-N |