N-(2,3-dihydro-1H-inden-5-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1H-inden-5-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2,3-dihydro-1H-inden-5-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y501-3643 |
| Compound Name: | N-(2,3-dihydro-1H-inden-5-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C23 H23 N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1ccc2CCCc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.595 |
| logD: | 3.5949 |
| logSw: | -3.7699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.097 |
| InChI Key: | YTGDZAVVUWGYOS-UHFFFAOYSA-N |