5-chloro-2-(phenylmethanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(phenylmethanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(phenylmethanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0880 |
| Compound Name: | 5-chloro-2-(phenylmethanesulfonyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 467.97 |
| Molecular Formula: | C17 H14 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0412 |
| logD: | 2.6643 |
| logSw: | -4.2949 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | OHGOJQJGJDSYQM-UHFFFAOYSA-N |