3-methyl-6-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
3-methyl-6-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | C648-0812 |
| Compound Name: | 3-methyl-6-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C22 H26 N6 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)C(N1CCN(CC1)c1ncccn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.482 |
| logD: | 1.482 |
| logSw: | -2.4964 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.086 |
| InChI Key: | VQMQFCNIGUVVHV-UHFFFAOYSA-N |