2-[4-(azepane-1-sulfonyl)phenyl]-5-[(3-methoxypropyl)amino]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-[(3-methoxypropyl)amino]-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-[(3-methoxypropyl)amino]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0795 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-[(3-methoxypropyl)amino]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | COCCCNc1c(C#N)nc(c2ccc(cc2)S(N2CCCCCC2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8685 |
| logD: | 2.8685 |
| logSw: | -3.3709 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.775 |
| InChI Key: | ZNOIVKQPOJVWGR-UHFFFAOYSA-N |