N-(3-chlorophenyl)-5-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-1093 |
| Compound Name: | N-(3-chlorophenyl)-5-{[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C18 H19 Cl N4 O4 S2 |
| Smiles: | C1CN(CCC12OCCO2)C(CSc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5521 |
| logD: | 2.5511 |
| logSw: | -3.4476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.752 |
| InChI Key: | KFHSDVPTYITQLJ-UHFFFAOYSA-N |