6-chloro-7-[4-(2,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(2,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(2,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0149 |
| Compound Name: | 6-chloro-7-[4-(2,4-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C21 H22 Cl N3 O7 S |
| Smiles: | COc1ccc(C(N2CCN(CC2)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5349 |
| logD: | 1.4763 |
| logSw: | -3.0403 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.85 |
| InChI Key: | QEIJOIXKLPTFJQ-UHFFFAOYSA-N |