6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0439 |
| Compound Name: | 6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C21 H21 Cl F N3 O5 S |
| Smiles: | CC(C)N1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(c(c1)[Cl])F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8547 |
| logD: | 2.8547 |
| logSw: | -3.6647 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.226 |
| InChI Key: | KIUDCMCFUNRAKP-UHFFFAOYSA-N |