N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide
Compound characteristics
| Compound ID: | Y044-5602 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxamide |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | C1COc2ccc(cc2OC1)NC(N1CCc2c3ccccc3[nH]c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2214 |
| logD: | 2.2214 |
| logSw: | -3.1621 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.374 |
| InChI Key: | AMOFFBKGTAGTRW-UHFFFAOYSA-N |