N-(adamantan-1-yl)-4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
N-(adamantan-1-yl)-4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | G797-0365 |
| Compound Name: | N-(adamantan-1-yl)-4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 522.49 |
| Molecular Formula: | C27 H32 Br N5 O |
| Smiles: | C1CN(CCN(C1)c1c2cccn2c2ccc(cc2n1)[Br])C(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3493 |
| logD: | 6.1028 |
| logSw: | -5.9439 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.784 |
| InChI Key: | QWQJLXAVUFWHJT-UHFFFAOYSA-N |