methyl 3-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G797-0410 |
| Compound Name: | methyl 3-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 528.43 |
| Molecular Formula: | C23 H22 Br N5 O3 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCCN(CC1)c1c2cccn2c2ccc(cc2n1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1577 |
| logD: | 5.0732 |
| logSw: | -5.1036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.261 |
| InChI Key: | KTPBRQWNTOAKHM-UHFFFAOYSA-N |