5-(methanesulfonyl)-7-methyl-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0619 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccccc1C(NCC=C)=O)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4095 |
| logD: | 2.4086 |
| logSw: | -3.1036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.473 |
| InChI Key: | OXKWBXBSDQTPKR-HXUWFJFHSA-N |