N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0465 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C19 H20 N2 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(c1ccc3c(c1)OCCCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.5253 |
| logD: | 0.7857 |
| logSw: | -2.4063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.258 |
| InChI Key: | LQSDMXCUHQPKBY-UHFFFAOYSA-N |