N-(3-chlorophenyl)-5-{4-[(3-methylbutyl)amino]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{4-[(3-methylbutyl)amino]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{4-[(3-methylbutyl)amino]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0460 |
| Compound Name: | N-(3-chlorophenyl)-5-{4-[(3-methylbutyl)amino]-4-oxobutyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 394.92 |
| Molecular Formula: | C18 H23 Cl N4 O2 S |
| Smiles: | CC(C)CCNC(CCCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4509 |
| logD: | 3.4476 |
| logSw: | -3.8724 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.642 |
| InChI Key: | DWQHEWWSRGAZFK-UHFFFAOYSA-N |