2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0794 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C23 H31 N5 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCCCN2CCOCC2)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3717 |
| logD: | 2.1779 |
| logSw: | -2.8006 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.052 |
| InChI Key: | DMLNQHBQMFDZRA-UHFFFAOYSA-N |