6-chloro-7-{3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-0460 |
| Compound Name: | 6-chloro-7-{3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 549.05 |
| Molecular Formula: | C25 H29 Cl N4 O6 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(C1CCCN(C1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2417 |
| logD: | 2.1831 |
| logSw: | -3.3088 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.605 |
| InChI Key: | RPNVKBXJPBCXCG-KRWDZBQOSA-N |