3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylphenyl)ethyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | E511-0696 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3-methylphenyl)ethyl]propanamide |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | Cc1cccc(CCNC(CCS(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8943 |
| logD: | 1.8728 |
| logSw: | -2.8753 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.586 |
| InChI Key: | QYYCMQCQUCFAAQ-UHFFFAOYSA-N |