7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1356 |
| Compound Name: | 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 412.93 |
| Molecular Formula: | C19 H25 Cl N2 O4 S |
| Smiles: | CS(N1CCC(C(NCCC2CCCCC=2)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9424 |
| logD: | 2.9424 |
| logSw: | -3.6494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63 |
| InChI Key: | PYUUXGPMWAIKAR-GOSISDBHSA-N |