5-(methanesulfonyl)-N-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0035 |
| Compound Name: | 5-(methanesulfonyl)-N-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C14 H18 N2 O4 S |
| Smiles: | CS(N1CCC(C(NCC=C)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9711 |
| logD: | 0.9711 |
| logSw: | -2.2279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.079 |
| InChI Key: | LCGUUMBTOLLWRF-CYBMUJFWSA-N |