(4-amino-1,2,5-oxadiazol-3-yl)[4-(2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4-amino-1,2,5-oxadiazol-3-yl)[4-(2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methanone
(4-amino-1,2,5-oxadiazol-3-yl)[4-(2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | D440-0089 |
| Compound Name: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(2,5-dimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C16 H21 N5 O4 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCCN(CC1)C(c1c(N)non1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7874 |
| logD: | 1.7874 |
| logSw: | -2.5046 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.822 |
| InChI Key: | OVWVYHVQZLRUKX-UHFFFAOYSA-N |