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
5-(methanesulfonyl)-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
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: | J098-0141 |
| Compound Name: | 5-(methanesulfonyl)-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CS(N1CCC(C(Nc2ccccc2C(NCC=C)=O)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.952 |
| logD: | 1.9512 |
| logSw: | -2.8501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.473 |
| InChI Key: | XOJCHZRXCXKEID-LJQANCHMSA-N |