7-chloro-5-(methanesulfonyl)-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1366 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | CS(N1CCC(C(Nc2ccccc2C(NCC=C)=O)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5341 |
| logD: | 2.5333 |
| logSw: | -3.5969 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.473 |
| InChI Key: | MSYSSTGMTGLHJR-LJQANCHMSA-N |