N-[3-carbamoyl-4-(pyrrolidin-1-yl)phenyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[3-carbamoyl-4-(pyrrolidin-1-yl)phenyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[3-carbamoyl-4-(pyrrolidin-1-yl)phenyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2399 |
| Compound Name: | N-[3-carbamoyl-4-(pyrrolidin-1-yl)phenyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C22 H25 N3 O4 |
| Smiles: | Cc1cc2c(cc1C(Nc1ccc(c(c1)C(N)=O)N1CCCC1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.4397 |
| logD: | 2.4392 |
| logSw: | -3.0953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.06 |
| InChI Key: | LOGRZLQIGRUUQT-UHFFFAOYSA-N |