methyl 4-chloro-2-{[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate
methyl 4-chloro-2-{[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G797-0211 |
| Compound Name: | methyl 4-chloro-2-{[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C25 H23 Cl F N5 O3 |
| Smiles: | COC(c1ccc(cc1NC(N1CCCN(CC1)c1c2cccn2c2ccc(cc2n1)F)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2668 |
| logD: | 5.1133 |
| logSw: | -5.7738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.242 |
| InChI Key: | XATVPHXGHNNWJX-UHFFFAOYSA-N |