ethyl (1-{[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepane-1-carbonyl]amino}cyclohexyl)acetate
Chemical Structure Depiction of
ethyl (1-{[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepane-1-carbonyl]amino}cyclohexyl)acetate
ethyl (1-{[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepane-1-carbonyl]amino}cyclohexyl)acetate
Compound characteristics
| Compound ID: | L461-0243 |
| Compound Name: | ethyl (1-{[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepane-1-carbonyl]amino}cyclohexyl)acetate |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CCOC(CC1(CCCCC1)NC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5588 |
| logD: | 3.4172 |
| logSw: | -3.5502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.763 |
| InChI Key: | KUNISZNGNNKDNU-UHFFFAOYSA-N |