N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methoxy-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)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0628 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | COc1cc2c(cc1C(Nc1c(C(N)=O)c3CCCCc3s1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.7332 |
| logD: | -0.2065 |
| logSw: | -2.6637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.888 |
| InChI Key: | RRFQKUITBVWYHQ-UHFFFAOYSA-N |