7-chloro-5-(methanesulfonyl)-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1405 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 436.91 |
| Molecular Formula: | C20 H21 Cl N2 O5 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(cc2)OCC=C)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4142 |
| logD: | 3.4142 |
| logSw: | -3.9457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.062 |
| InChI Key: | RCPZQXLEXMEAML-LJQANCHMSA-N |