[4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl](4-methylpiperidin-1-yl)methanone
Chemical Structure Depiction of
[4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl](4-methylpiperidin-1-yl)methanone
[4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl](4-methylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | G403-2681 |
| Compound Name: | [4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl](4-methylpiperidin-1-yl)methanone |
| Molecular Weight: | 494.05 |
| Molecular Formula: | C24 H32 Cl N3 O4 S |
| Smiles: | CCC1CN(c2cc(ccc2O1)[Cl])S(c1c(C(N2CCC(C)CC2)=O)c(C)n(C)c1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5757 |
| logD: | 3.5757 |
| logSw: | -4.4477 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.061 |
| InChI Key: | IEPGRCYEKSDUPA-LJQANCHMSA-N |