N-[(2-chlorophenyl)methyl]-4-{[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-{[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3405 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[2-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 571.14 |
| Molecular Formula: | C29 H35 Cl N4 O4 S |
| Smiles: | COCCCNC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9175 |
| logD: | 3.9175 |
| logSw: | -4.231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.303 |
| InChI Key: | AQXZOLDXQWDYSL-UHFFFAOYSA-N |