N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | J031-1140 |
| Compound Name: | N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C16 H17 N O4 S |
| Smiles: | COc1cc2c(cc1CNC(c1cccs1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.0759 |
| logD: | 2.0759 |
| logSw: | -2.7136 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.455 |
| InChI Key: | DXHRNWOYCZHTQP-UHFFFAOYSA-N |